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Chemical ID: 6721582
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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