Chemical ID: 4253851

Cc1cccc2c1nc(cc2C(=O)O)c3ccc(cc3)OC
Chemical ID:
4253851
Name [?]:
2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H15NO3/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(22-2)9-7-12/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,16,20,17,19,10,2,15,18,6,11,9,7,12,8,13,14,21/E:(6,7)(8,9)(20,21)/rA:22nCCCCCCCNCCCCOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.79451
Area:481.797
Solvation:-3.25042
Coulombic:-41.6139
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:3.91
LogP (Chemaxon):3.95

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Descriptor Annotations

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