N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide

C30H26N6O4S — CID 4661511

About N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide

N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide (PubChem CID 4661511) has the molecular formula C30H26N6O4S and a molecular weight of 566.64 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
• PubChem CID: 4661511
• Molecular Formula: C30H26N6O4S
• Molecular Weight: 566.64 g/mol
• Exact Mass: 566.17
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
• SMILES: COc1ccccc1CNC(=O)CCC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O
• InChI: InChI=1S/C30H26N6O4S/c1-40-24-11-5-2-8-19(24)17-31-26(37)14-13-23-29(39)36-28(33-23)21-9-3-4-10-22(21)34-30(36)41-18-20-16-27(38)35-15-7-6-12-25(35)32-20/h2-12,15-16,23H,13-14,17-18H2,1H3,(H,31,37)
• InChIKey: RDIWHUKQHPOWRU-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 117.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.64
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide (CID 4661511) is N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide is COc1ccccc1CNC(=O)CCC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

The InChIKey is RDIWHUKQHPOWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O4S/c1-40-24-11-5-2-8-19(24)17-31-26(37)14-13-23-29(39)36-28(33-23)21-9-3-4-10-22(21)34-30(36)41-18-20-16-27(38)35-15-7-6-12-25(35)32-20/h2-12,15-16,23H,13-14,17-18H2,1H3,(H,31,37).

What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide?

N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide has a molecular weight of 566.64 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide is sourced from PubChem (CID 4661511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).