1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

C25H26N4O6S — CID 134169697

About 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 134169697) has the molecular formula C25H26N4O6S and a molecular weight of 510.57 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
• PubChem CID: 134169697
• Molecular Formula: C25H26N4O6S
• Molecular Weight: 510.57 g/mol
• Exact Mass: 510.16
• IUPAC Name: 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
• SMILES: COc1cccc(Cn2c(=O)n(Cc3cnc(C)o3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)c1
• InChI: InChI=1S/C25H26N4O6S/c1-16-26-13-19(35-16)15-29-23(30)21-12-20(36(32,33)27-25(2)9-10-25)7-8-22(21)28(24(29)31)14-17-5-4-6-18(11-17)34-3/h4-8,11-13,27H,9-10,14-15H2,1-3H3
• InChIKey: CBTZDRRYSBXLTB-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 125.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.57
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?

The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (CID 134169697) is 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.

What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?

The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is COc1cccc(Cn2c(=O)n(Cc3cnc(C)o3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)c1.

What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?

The InChIKey is CBTZDRRYSBXLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6S/c1-16-26-13-19(35-16)15-29-23(30)21-12-20(36(32,33)27-25(2)9-10-25)7-8-22(21)28(24(29)31)14-17-5-4-6-18(11-17)34-3/h4-8,11-13,27H,9-10,14-15H2,1-3H3.

What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?

1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 510.57 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methoxyphenyl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 134169697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).