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

C24H25N3O2S — CID 171985884

IUPAC2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCSc1ccc(C2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C24H25N3O2S/c1-14-6-5-13-25-23(14)27-24(29)20-15(2)26-18-7-4-8-19(28)22(18)21(20)16-9-11-17(30-3)12-10-16/h5-6,9-13,21,26H,4,7-8H2,1-3H3,(H,25,27,29)
InChIKeyDPLYXYOKZCNAAH-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.72
Rot. Bonds4

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

2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 171985884) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID171985884
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCSc1ccc(C2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C24H25N3O2S/c1-14-6-5-13-25-23(14)27-24(29)20-15(2)26-18-7-4-8-19(28)22(18)21(20)16-9-11-17(30-3)12-10-16/h5-6,9-13,21,26H,4,7-8H2,1-3H3,(H,25,27,29)
InChIKeyDPLYXYOKZCNAAH-UHFFFAOYSA-N
XLogP4.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4R)-2-methyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1223831
ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45053452
4-[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3587394
(4R)-4-(4-fluorophenyl)-2,7,7-trimethyl-N-(3-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1012044
2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2901333
(4R)-4-(4-chlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230529
(4R,7R)-2,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408266
4-(4-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3555878
(4S)-4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 997185
(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-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022568
(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51579766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 171985884) is 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CSc1ccc(C2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1.
What is the InChIKey of 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is DPLYXYOKZCNAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-14-6-5-13-25-23(14)27-24(29)20-15(2)26-18-7-4-8-19(28)22(18)21(20)16-9-11-17(30-3)12-10-16/h5-6,9-13,21,26H,4,7-8H2,1-3H3,(H,25,27,29).
What are the key properties of 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 171985884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).