3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one

C24H24N4O4 — CID 40789776

About 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one

3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one (PubChem CID 40789776) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
• PubChem CID: 40789776
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
• SMILES: O=C([C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc2O1)N1CCCCC1
• InChI: InChI=1S/C24H24N4O4/c29-22(15-27-16-25-18-9-3-2-8-17(18)23(27)30)28-14-21(24(31)26-12-6-1-7-13-26)32-20-11-5-4-10-19(20)28/h2-5,8-11,16,21H,1,6-7,12-15H2/t21-/m1/s1
• InChIKey: HBJAHCVJRHHCRF-OAQYLSRUSA-N
• XLogP: 2.20
• TPSA: 84.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one?

The IUPAC name of 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one (CID 40789776) is 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one.

What is the SMILES notation for 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one?

The canonical SMILES for 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one is O=C([C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc2O1)N1CCCCC1.

What is the InChIKey of 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one?

The InChIKey is HBJAHCVJRHHCRF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-22(15-27-16-25-18-9-3-2-8-17(18)23(27)30)28-14-21(24(31)26-12-6-1-7-13-26)32-20-11-5-4-10-19(20)28/h2-5,8-11,16,21H,1,6-7,12-15H2/t21-/m1/s1.

What are the key properties of 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one?

3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one has a molecular weight of 432.48 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 40789776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).