N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C22H19ClN2O3 — CID 31286349

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 31286349) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
• PubChem CID: 31286349
• Molecular Formula: C22H19ClN2O3
• Molecular Weight: 394.86 g/mol
• Exact Mass: 394.11
• IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
• SMILES: CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C22H19ClN2O3/c1-25(13-18-8-10-20(28-18)14-2-6-17(23)7-3-14)22(27)16-4-9-19-15(12-16)5-11-21(26)24-19/h2-4,6-10,12H,5,11,13H2,1H3,(H,24,26)
• InChIKey: HSNMAKXNZBDLQW-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.86
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 31286349) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

The InChIKey is HSNMAKXNZBDLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-25(13-18-8-10-20(28-18)14-2-6-17(23)7-3-14)22(27)16-4-9-19-15(12-16)5-11-21(26)24-19/h2-4,6-10,12H,5,11,13H2,1H3,(H,24,26).

What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 31286349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).