N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

C24H22N2O3 — CID 2021238

About N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (PubChem CID 2021238) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
• PubChem CID: 2021238
• Molecular Formula: C24H22N2O3
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.16
• IUPAC Name: N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c1
• InChI: InChI=1S/C24H22N2O3/c1-15-7-9-18-13-19(23(27)25-20(18)11-15)14-26(24(28)22-5-4-10-29-22)21-12-16(2)6-8-17(21)3/h4-13H,14H2,1-3H3,(H,25,27)
• InChIKey: KHSFYJZNIGIKLN-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 66.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?

The IUPAC name of N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (CID 2021238) is N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?

The canonical SMILES for N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c1.

What is the InChIKey of N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?

The InChIKey is KHSFYJZNIGIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-7-9-18-13-19(23(27)25-20(18)11-15)14-26(24(28)22-5-4-10-29-22)21-12-16(2)6-8-17(21)3/h4-13H,14H2,1-3H3,(H,25,27).

What are the key properties of N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?

N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 2021238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).