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

C23H24N2O2S — CID 155535071

IUPAC2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cc(C)cs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H24N2O2S/c1-13-11-19(28-12-13)22-20(23(27)25-16-8-5-4-7-14(16)2)15(3)24-17-9-6-10-18(26)21(17)22/h4-5,7-8,11-12,22,24H,6,9-10H2,1-3H3,(H,25,27)
InChIKeySLBBBNUHLZHFDF-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.97
Rot. Bonds3

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

2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155535071) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155535071
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cc(C)cs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H24N2O2S/c1-13-11-19(28-12-13)22-20(23(27)25-16-8-5-4-7-14(16)2)15(3)24-17-9-6-10-18(26)21(17)22/h4-5,7-8,11-12,22,24H,6,9-10H2,1-3H3,(H,25,27)
InChIKeySLBBBNUHLZHFDF-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylphenyl)-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3144732
4-(1-benzothiophen-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 155538420
(4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1136533
(4S)-4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 997185
(4S)-4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1140481
2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2893532
(4S)-2-methyl-N-(2-methylphenyl)-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 996704
(4R)-2-methyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022510
(4S)-2-methyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51524430
(4R)-2,7,7-trimethyl-N-(2-methylphenyl)-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1136615
2,7,7-trimethyl-N-(2-methylphenyl)-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142917
2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 5084656

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155535071) is 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2cc(C)cs2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is SLBBBNUHLZHFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-13-11-19(28-12-13)22-20(23(27)25-16-8-5-4-7-14(16)2)15(3)24-17-9-6-10-18(26)21(17)22/h4-5,7-8,11-12,22,24H,6,9-10H2,1-3H3,(H,25,27).
What are the key properties of 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-4-(4-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155535071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).