2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H21N3O2S — CID 2893532

IUPAC2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)ccn2)C(c2cccs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H21N3O2S/c1-12-8-9-22-17(11-12)24-21(26)18-13(2)23-14-5-3-6-15(25)19(14)20(18)16-7-4-10-27-16/h4,7-11,20,23H,3,5-6H2,1-2H3,(H,22,24,26)
InChIKeyCBPHZHOUXJCTTH-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.06
Rot. Bonds3

About 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2893532) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2893532
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)ccn2)C(c2cccs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H21N3O2S/c1-12-8-9-22-17(11-12)24-21(26)18-13(2)23-14-5-3-6-15(25)19(14)20(18)16-7-4-10-27-16/h4,7-11,20,23H,3,5-6H2,1-2H3,(H,22,24,26)
InChIKeyCBPHZHOUXJCTTH-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

(4R)-2-methyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022510
4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3304695
2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 5084656
(4S)-4-(4-fluorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92539544
(4R)-4-(3-bromophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1341274
2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23832831
4-[4-(dimethylamino)phenyl]-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 22330232
(4R)-4-(2,3-dimethoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022639
(4S)-4-(4-chloro-3-nitrophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848355
4-(2-chloro-5-nitrophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23917069
(4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51452587
2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155535071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2893532) is 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cc(C)ccn2)C(c2cccs2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is CBPHZHOUXJCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-12-8-9-22-17(11-12)24-21(26)18-13(2)23-14-5-3-6-15(25)19(14)20(18)16-7-4-10-27-16/h4,7-11,20,23H,3,5-6H2,1-2H3,(H,22,24,26).
What are the key properties of 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2893532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).