Chemical ID: 6733998

Cc1cc([nH+]c2c1cc(cc2)[N+](=O)[O-])N3CCC(CC3)C
Chemical ID:
6733998
Name [?]:
4-methyl-2-(4-methyl-1-piperidyl)-6-nitro-1H-quinoline
SMILES [?]:
Cc1cc([nH+]c2c1cc(cc2)[N+](=O)[O-])N3CCC(CC3)C
InChi [?]:
InChI=1/C16H19N3O2/c1-11-5-7-18(8-6-11)16-9-12(2)14-10-13(19(20)21)3-4-15(14)17-16/h3-4,9-11H,5-8H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:21,1,10,11,17,19,16,20,3,8,18,2,9,7,6,4,5,15,12,13,14/E:(5,6)(7,8)(20,21)/CRV:19.5/rA:21nCCCCN+CCCCCCN+OO-NCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s9;d12;s12;s4;s15;s16;s17;s18;s15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N3O2+
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-27.9404
Area:472.393
Solvation:-39.7502
Coulombic:-8.00163
Bond Count [?]
All:23
Single:17
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.349
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):4.57

Name Annotations

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Descriptor Annotations

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