Chemical ID: 6154461

CCCCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cc(cc3)C(=O)OC)C
Chemical ID:
6154461
Name [?]:
methyl 4-(4-butoxycarbonylphenyl)amino-2-methyl-quinoline-6-carboxylate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cc(cc3)C(=O)OC)C
InChi [?]:
InChI=1/C23H24N2O4/c1-4-5-12-29-23(27)16-6-9-18(10-7-16)25-21-13-15(2)24-20-11-8-17(14-19(20)21)22(26)28-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,29,28,2,3,9,13,23,10,12,24,4,16,21,17,8,22,11,20,19,15,25,6,18,14,26,7,27,5/E:(6,7)(9,10)/rA:29nCCCCOCOCCCCCCNCCCNCCCCCCCOOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s22;d25;s25;s27;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2134
Area:658.192
Solvation:-3.24144
Coulombic:-56.9376
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.448
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.87
LogP (Chemaxon):3.86

Name Annotations

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Descriptor Annotations

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