Chemical ID: 4346830

CCCC(C)NC(=O)c1cc(nc2c1cccc2)c3ccccc3
Chemical ID:
4346830
Name [?]:
N-(1-methylbutyl)-2-phenyl-quinoline-4-carboxamide
SMILES [?]:
CCCC(C)NC(=O)c1cc(nc2c1cccc2)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O/c1-3-9-15(2)22-21(24)18-14-20(16-10-5-4-6-11-16)23-19-13-8-7-12-17(18)19/h4-8,10-15H,3,9H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,22,21,23,16,17,3,20,24,15,18,10,4,19,14,9,13,11,7,6,12,8/E:(5,6)(10,11)/rA:24cCCCCCNCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s11;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.7203
Area:548.428
Solvation:-1.99041
Coulombic:-30.7151
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.412
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.37
LogP (Chemaxon):4.74

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Descriptor Annotations

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