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

C29H24N6O4S — CID 4258564

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

N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 4258564) has the molecular formula C29H24N6O4S and a molecular weight of 552.62 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
• PubChem CID: 4258564
• Molecular Formula: C29H24N6O4S
• Molecular Weight: 552.62 g/mol
• Exact Mass: 552.16
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
• SMILES: COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCc4cc(=O)n5ccccc5n4)N3C2=O)cc1
• InChI: InChI=1S/C29H24N6O4S/c1-39-20-11-9-18(10-12-20)16-30-25(36)15-23-28(38)35-27(32-23)21-6-2-3-7-22(21)33-29(35)40-17-19-14-26(37)34-13-5-4-8-24(34)31-19/h2-14,23H,15-17H2,1H3,(H,30,36)
• InChIKey: SPSQNUBLCUOKIU-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 117.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.62
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide (CID 4258564) is N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCc4cc(=O)n5ccccc5n4)N3C2=O)cc1.

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

The InChIKey is SPSQNUBLCUOKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O4S/c1-39-20-11-9-18(10-12-20)16-30-25(36)15-23-28(38)35-27(32-23)21-6-2-3-7-22(21)33-29(35)40-17-19-14-26(37)34-13-5-4-8-24(34)31-19/h2-14,23H,15-17H2,1H3,(H,30,36).

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

N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 552.62 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 4258564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).