(2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C24H25N3O3 — CID 9006514

About (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

(2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9006514) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
• PubChem CID: 9006514
• Molecular Formula: C24H25N3O3
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.19
• IUPAC Name: (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
• SMILES: COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)CCO)cc2)cc1
• InChI: InChI=1S/C24H25N3O3/c1-26(15-16-28)18-9-7-17(8-10-18)23-25-22-6-4-3-5-21(22)24(29)27(23)19-11-13-20(30-2)14-12-19/h3-14,23,25,28H,15-16H2,1-2H3/t23-/m1/s1
• InChIKey: QXQYQDFESHZEDX-HSZRJFAPSA-N
• XLogP: 3.89
• TPSA: 65.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?

The IUPAC name of (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9006514) is (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?

The canonical SMILES for (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)CCO)cc2)cc1.

What is the InChIKey of (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?

The InChIKey is QXQYQDFESHZEDX-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-26(15-16-28)18-9-7-17(8-10-18)23-25-22-6-4-3-5-21(22)24(29)27(23)19-11-13-20(30-2)14-12-19/h3-14,23,25,28H,15-16H2,1-2H3/t23-/m1/s1.

What are the key properties of (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?

(2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 403.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).