N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide

C23H24N4O4S — CID 163336710

About N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide

N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide (PubChem CID 163336710) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
• PubChem CID: 163336710
• Molecular Formula: C23H24N4O4S
• Molecular Weight: 452.54 g/mol
• Exact Mass: 452.15
• IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
• SMILES: CCC(SC1=Nc2ccccc2C2=NC(=O)C(C)N12)C(=O)Nc1ccc(OC)cc1OC
• InChI: InChI=1S/C23H24N4O4S/c1-5-19(22(29)24-17-11-10-14(30-3)12-18(17)31-4)32-23-25-16-9-7-6-8-15(16)20-26-21(28)13(2)27(20)23/h6-13,19H,5H2,1-4H3,(H,24,29)
• InChIKey: YNPZXALOUKGFLD-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.54
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?

The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide (CID 163336710) is N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide.

What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?

The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide is CCC(SC1=Nc2ccccc2C2=NC(=O)C(C)N12)C(=O)Nc1ccc(OC)cc1OC.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?

The InChIKey is YNPZXALOUKGFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-5-19(22(29)24-17-11-10-14(30-3)12-18(17)31-4)32-23-25-16-9-7-6-8-15(16)20-26-21(28)13(2)27(20)23/h6-13,19H,5H2,1-4H3,(H,24,29).

What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide?

N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide has a molecular weight of 452.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide is sourced from PubChem (CID 163336710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).