Chemical ID: 4312308

CCCOC(=O)C1=C(NC2=C(C1c3ccc(cc3)C)C(=O)CC(C2)c4ccccc4)C
Chemical ID:
4312308
Name [?]:
propyl 2-methyl-5-oxo-7-phenyl-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILES [?]:
CCCOC(=O)C1=C(NC2=C(C1c3ccc(cc3)C)C(=O)CC(C2)c4ccccc4)C
InChi [?]:
InChI=1/C27H29NO3/c1-4-14-31-27(30)24-18(3)28-22-15-21(19-8-6-5-7-9-19)16-23(29)26(22)25(24)20-12-10-17(2)11-13-20/h5-13,21,25,28H,4,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,31,2,28,27,29,26,30,15,17,14,18,3,24,22,16,8,25,13,23,10,20,7,12,11,5,9,21,6,4/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCOCOCCNCCCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;d10;s7s11;s12;s13;d14;s15;d16;d13s17;s16;s11;d20;s20;s22;s10s23;s23;s25;d26;s27;d28;d25s29;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.5659
Area:635.4
Solvation:-3.31912
Coulombic:-40.067
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:415.524
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.79
LogP (Chemaxon):3.83

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Descriptor Annotations

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