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Chemical ID: 7121873

Chemical ID:

7121873

Name [?]:

3-methyl-2-(p-tolyl)quinoline-4-carboxylate

SMILES [?]:

Cc1ccc(cc1)c2c(c(c3ccccc3n2)C(=O)[O-])C

InChi [?]:

InChI=1/C18H15NO2/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H,20,21)/p-1

InChi Info:

AuxInfo=1/1/N:1,21,13,14,12,15,3,7,4,6,2,9,5,11,16,10,8,18,17,19,20/E:(7,8)(9,10)(20,21)/rA:21nCCCCCCCCCCCCCCCCNCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₄NO_2-
All Atoms:	35
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	-31.0586
Area:	459.357
Solvation:	-42.5426
Coulombic:	-9.13324

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	276.309
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.95
LogP (Chemaxon):	4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value