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Chemical ID: 6344205

Cc1ccc(cc1[N+](=O)[O-])NC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)Cl

Chemical ID:

6344205

Name [?]:

2-(4-chlorophenyl)-N-(4-methyl-3-nitro-phenyl)-quinoline-4-carboxamide

SMILES [?]:

Cc1ccc(cc1[N+](=O)[O-])NC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C23H16ClN3O3/c1-14-6-11-17(12-22(14)27(29)30)25-23(28)19-13-21(15-7-9-16(24)10-8-15)26-20-5-3-2-4-18(19)20/h2-13H,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,21,22,20,23,3,25,29,26,28,4,6,15,2,24,27,5,19,14,18,16,7,12,30,11,17,8,13,9,10/E:(7,8)(9,10)(29,30)/CRV:27.5/rA:30nCCCCCCCN+OO-NCOCCCNCCCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s16;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₆ClN₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	7.6962
Area:	628.533
Solvation:	-8.01712
Coulombic:	-40.8463

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	417.844
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.74
LogP (Chemaxon):	6.21

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value