ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4566424

Chemical ID:

4566424

Name [?]:

6-methoxy-2-methyl-quinoline-3-carboxamide

SMILES [?]:

Cc1c(cc2cc(ccc2n1)OC)C(=O)N

InChi [?]:

InChI=1/C12H12N2O2/c1-7-10(12(13)15)6-8-5-9(16-2)3-4-11(8)14-7/h3-6H,1-2H3,(H2,13,15)

InChi Info:

AuxInfo=1/1/N:1,13,8,9,6,4,2,5,7,3,10,14,16,11,15,12/rA:16nCCCCCCCCCCNOCCON/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₂N₂O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.29603
Area:	379.894
Solvation:	-3.20133
Coulombic:	-37.6722

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	216.236
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	1.24
LogP (Chemaxon):	0.71

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value