Chemical ID: 7287913

CC1CCCCC1NC(=O)c2ccc3ccccc3n2
Chemical ID:
7287913
Name [?]:
N-(2-methylcyclohexyl)quinoline-2-carboxamide
SMILES [?]:
CC1CCCCC1NC(=O)c2ccc3ccccc3n2
InChi [?]:
InChI=1/C17H20N2O/c1-12-6-2-4-8-14(12)19-17(20)16-11-10-13-7-3-5-9-15(13)18-16/h3,5,7,9-12,14H,2,4,6,8H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,16,5,17,3,15,6,18,13,12,2,14,7,19,11,9,20,8,10/rA:20cCCCCCCCNCOCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O
All Atoms:40
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:10.1586
Area:462.379
Solvation:-1.40084
Coulombic:-31.1144
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.354
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):3.42

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Descriptor Annotations

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