N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide

C28H30N4O3 — CID 43819147

About N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide

N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 43819147) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide
• PubChem CID: 43819147
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide
• SMILES: Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(N4CCN(C)CC4)cc3)cc2c1
• InChI: InChI=1S/C28H30N4O3/c1-20-5-10-26-22(16-20)17-23(27(33)29-26)18-32(19-25-4-3-15-35-25)28(34)21-6-8-24(9-7-21)31-13-11-30(2)12-14-31/h3-10,15-17H,11-14,18-19H2,1-2H3,(H,29,33)
• InChIKey: JFNLJAIBENZMAY-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 72.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide?

The IUPAC name of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 43819147) is N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide?

The canonical SMILES for N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide is Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(N4CCN(C)CC4)cc3)cc2c1.

What is the InChIKey of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide?

The InChIKey is JFNLJAIBENZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-20-5-10-26-22(16-20)17-23(27(33)29-26)18-32(19-25-4-3-15-35-25)28(34)21-6-8-24(9-7-21)31-13-11-30(2)12-14-31/h3-10,15-17H,11-14,18-19H2,1-2H3,(H,29,33).

What are the key properties of N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide?

N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 43819147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).