Chemical ID: 5247625

CCC(C)C(=O)Nc1cc2ccccc2nc1
Chemical ID:
5247625
Name [?]:
2-methyl-N-(3-quinolyl)butanamide
SMILES [?]:
CCC(C)C(=O)Nc1cc2ccccc2nc1
InChi [?]:
InChI=1/C14H16N2O/c1-3-10(2)14(17)16-12-8-11-6-4-5-7-13(11)15-9-12/h4-10H,3H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,2,12,13,11,14,9,17,3,10,8,15,5,16,7,6/rA:17cCCCCCONCCCCCCCCNC/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;d8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.25289
Area:417.649
Solvation:-2.18833
Coulombic:-26.5952
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.29
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.49
LogP (Chemaxon):3.05

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Descriptor Annotations

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