Chemical ID: 6721582

Cc1cc(c2ccccc2n1)C(=O)NCc3cccs3
Chemical ID:
6721582
Name [?]:
2-methyl-N-(2-thienylmethyl)quinoline-4-carboxamide
SMILES [?]:
Cc1cc(c2ccccc2n1)C(=O)NCc3cccs3
InChi [?]:
InChI=1/C16H14N2OS/c1-11-9-14(13-6-2-3-7-15(13)18-11)16(19)17-10-12-5-4-8-20-12/h2-9H,10H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,7,8,18,17,6,9,19,3,15,2,16,5,4,10,12,14,11,13,20/rA:20nCCCCCCCCCCNCONCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;d12;s12;s14;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2OS
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.77569
Area:478.69
Solvation:-2.19155
Coulombic:-28.6481
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.361
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.62
LogP (Chemaxon):2.4

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Descriptor Annotations

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