N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide

C30H30N6O4S — CID 46251165

About N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide

N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide (PubChem CID 46251165) has the molecular formula C30H30N6O4S and a molecular weight of 570.68 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
• PubChem CID: 46251165
• Molecular Formula: C30H30N6O4S
• Molecular Weight: 570.68 g/mol
• Exact Mass: 570.20
• IUPAC Name: N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
• SMILES: O=C(CCC1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccco1
• InChI: InChI=1S/C30H30N6O4S/c37-26(31-19-22-9-6-18-40-22)13-12-25-29(39)36-28(32-25)23-10-4-5-11-24(23)33-30(36)41-20-27(38)35-16-14-34(15-17-35)21-7-2-1-3-8-21/h1-11,18,25H,12-17,19-20H2,(H,31,37)
• InChIKey: MJEYQJRNABDOQI-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 110.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.68
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

The IUPAC name of N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide (CID 46251165) is N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

The canonical SMILES for N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide is O=C(CCC1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccco1.

What is the InChIKey of N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

The InChIKey is MJEYQJRNABDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O4S/c37-26(31-19-22-9-6-18-40-22)13-12-25-29(39)36-28(32-25)23-10-4-5-11-24(23)33-30(36)41-20-27(38)35-16-14-34(15-17-35)21-7-2-1-3-8-21/h1-11,18,25H,12-17,19-20H2,(H,31,37).

What are the key properties of N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide has a molecular weight of 570.68 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3-[3-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide is sourced from PubChem (CID 46251165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).