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Chemical ID: 6340266

Cc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4[N+](=O)[O-])OC

Chemical ID:

6340266

Name [?]:

N-(4-methoxy-2-nitro-phenyl)-2-(p-tolyl)quinoline-4-carboxamide

SMILES [?]:

Cc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4[N+](=O)[O-])OC

InChi [?]:

InChI=1/C24H19N3O4/c1-15-7-9-16(10-8-15)22-14-19(18-5-3-4-6-20(18)25-22)24(28)26-21-12-11-17(31-2)13-23(21)27(29)30/h3-14H,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,31,13,14,12,15,3,7,4,6,23,22,25,9,2,5,24,11,10,16,21,8,26,18,17,20,27,19,28,29,30/E:(7,8)(9,10)(29,30)/CRV:27.5/rA:31nCCCCCCCCCCCCCCCCNCONCCCCCCN+OO-OC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;d27;s27;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉N₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26854
Area:	621.585
Solvation:	-7.27108
Coulombic:	-49.1254

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	413.425
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.89
LogP (Chemaxon):	5.44

Name Annotations

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

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