Chemical ID: 7122817

Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(c(c3)C)C
Chemical ID:
7122817
Name [?]:
2-(3,4-dimethylphenyl)-8-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(c(c3)C)C
InChi [?]:
InChI=1/C19H17NO2/c1-11-7-8-14(9-13(11)3)17-10-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-10H,1-3H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:22,1,21,4,3,5,17,16,20,10,18,2,19,15,6,11,9,7,12,8,13,14/E:(21,22)/rA:22nCCCCCCCNCCCCOO-CCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16NO2-
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-29.1085
Area:484.05
Solvation:-41.2098
Coulombic:-9.66784
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.336
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):5.14

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Descriptor Annotations

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