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

C23H24N2O3 — CID 651809

IUPAC2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H24N2O3/c1-13-7-4-5-8-16(13)25-23(27)20-15(3)24-17-9-6-10-18(26)21(17)22(20)19-12-11-14(2)28-19/h4-5,7-8,11-12,22,24H,6,9-10H2,1-3H3,(H,25,27)
InChIKeyYBENFJDXFJLIHT-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.50
Rot. Bonds3

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

2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 651809) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID651809
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H24N2O3/c1-13-7-4-5-8-16(13)25-23(27)20-15(3)24-17-9-6-10-18(26)21(17)22(20)19-12-11-14(2)28-19/h4-5,7-8,11-12,22,24H,6,9-10H2,1-3H3,(H,25,27)
InChIKeyYBENFJDXFJLIHT-UHFFFAOYSA-N
XLogP4.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 651809) is 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is YBENFJDXFJLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-13-7-4-5-8-16(13)25-23(27)20-15(3)24-17-9-6-10-18(26)21(17)22(20)19-12-11-14(2)28-19/h4-5,7-8,11-12,22,24H,6,9-10H2,1-3H3,(H,25,27).
What are the key properties of 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 651809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).