N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine

C₁₉H₂₀N₄O₃S — CID 71908152

About N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine

N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine (PubChem CID 71908152) has the molecular formula C₁₉H₂₀N₄O₃S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine.

Molecular Properties

• Compound Name: N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine
• PubChem CID: 71908152
• Molecular Formula: C₁₉H₂₀N₄O₃S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.13
• IUPAC Name: N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine
• SMILES: COc1ccc(S(=O)(=O)N2CC(Nc3ncnc4cccc(C)c34)C2)cc1
• InChI: InChI=1S/C19H20N4O3S/c1-13-4-3-5-17-18(13)19(21-12-20-17)22-14-10-23(11-14)27(24,25)16-8-6-15(26-2)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21,22)
• InChIKey: ARGYOQZSMURIIE-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?

The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine (CID 71908152) is N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine.

What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?

The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine is COc1ccc(S(=O)(=O)N2CC(Nc3ncnc4cccc(C)c34)C2)cc1.

What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?

The InChIKey is ARGYOQZSMURIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-4-3-5-17-18(13)19(21-12-20-17)22-14-10-23(11-14)27(24,25)16-8-6-15(26-2)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21,22).

What are the key properties of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?

N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine has a molecular weight of 384.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine is sourced from PubChem (CID 71908152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71908152 — identifiers, structure, computed properties (public domain)

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