Chemical ID: 4730567

Cc1ccc2c(cc(nc2c1)c3ccc(cc3)OC)C(=O)O
Chemical ID:
4730567
Name [?]:
2-(4-methoxyphenyl)-7-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(cc(nc2c1)c3ccc(cc3)OC)C(=O)O
InChi [?]:
InChI=1/C18H15NO3/c1-11-3-8-14-15(18(20)21)10-16(19-17(14)9-11)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,3,13,17,14,16,4,11,7,2,12,15,5,6,8,10,20,9,21,22,18/E:(4,5)(6,7)(20,21)/rA:22nCCCCCCCCNCCCCCCCCOCCOO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s8;s12;d13;s14;d15;d12s16;s15;s18;s6;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.89158
Area:484.923
Solvation:-3.2315
Coulombic:-41.4892
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:293.317
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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