Chemical ID: 7973722

Cc1ccc(cc1)c2c(c(c3cc(ccc3n2)C)C(=O)O)N4CCCCCC4
Chemical ID:
7973722
Name [?]:
3-azepan-1-yl-6-methyl-2-(p-tolyl)quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)c2c(c(c3cc(ccc3n2)C)C(=O)O)N4CCCCCC4
InChi [?]:
InChI=1/C24H26N2O2/c1-16-7-10-18(11-8-16)22-23(26-13-5-3-4-6-14-26)21(24(27)28)19-15-17(2)9-12-20(19)25-22/h7-12,15H,3-6,13-14H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,18,25,26,24,27,3,7,14,4,6,15,23,28,12,2,13,5,11,16,10,8,9,19,17,22,20,21/E:(3,4)(5,6)(7,8)(10,11)(13,14)(27,28)/rA:28nCCCCCCCCCCCCCCCCNCCOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s13;s10;d19;s19;s9;s22;s23;s24;s25;s26;s22s27;/rC:-.5767,1.3681,1.2245;-.4384,-.1091,.9598;-.3231,-.5682,-.3401;-.1967,-1.9195,-.5888;-.1847,-2.823,.4735;-.3009,-2.3541,1.7817;-.4216,-1,2.0181;-.0497,-4.2754,.2132;.8176,-5.0384,1.0281;.9482,-6.4092,.7863;.1638,-6.9733,-.3148;.2276,-8.3336,-.6326;-.5188,-8.8204,-1.6654;-1.3438,-7.9788,-2.407;-1.4284,-6.6497,-2.1238;-.6735,-6.112,-1.0655;-.7438,-4.8129,-.7638;-.4495,-10.2863,-2.008;1.837,-7.2503,1.6035;1.4112,-7.7889,2.6064;3.1234,-7.4233,1.2399;1.5277,-4.4367,2.0506;2.9416,-4.8125,1.8629;3.8085,-3.8201,2.5973;4.2227,-4.3612,3.9827;3.0548,-5.0944,4.674;1.7436,-4.3771,4.4797;1.0311,-4.9575,3.2431;

Chemical Details

Atom Count
Formula:C24H26N2O2
All Atoms:54
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7946
Area:558.267
Solvation:-2.16209
Coulombic:-42.6262
Bond Count [?]
All:57
Single:48
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.476
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.07
LogP (Chemaxon):6.05

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Descriptor Annotations

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