4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one

C20H21N3O3 — CID 2828274

IUPAC4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one
SMILESO=C1Nc2ccccc2C(O)(C(=O)N2CCCCC2)N1c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18(22-13-7-2-8-14-22)20(26)16-11-5-6-12-17(16)21-19(25)23(20)15-9-3-1-4-10-15/h1,3-6,9-12,26H,2,7-8,13-14H2,(H,21,25)
InChIKeyATHPZOHFMQWJKT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds2

About 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one

4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one (PubChem CID 2828274) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one
PubChem CID2828274
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one
SMILESO=C1Nc2ccccc2C(O)(C(=O)N2CCCCC2)N1c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18(22-13-7-2-8-14-22)20(26)16-11-5-6-12-17(16)21-19(25)23(20)15-9-3-1-4-10-15/h1,3-6,9-12,26H,2,7-8,13-14H2,(H,21,25)
InChIKeyATHPZOHFMQWJKT-UHFFFAOYSA-N
XLogP2.90
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one?
The IUPAC name of 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one (CID 2828274) is 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one is O=C1Nc2ccccc2C(O)(C(=O)N2CCCCC2)N1c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one?
The InChIKey is ATHPZOHFMQWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18(22-13-7-2-8-14-22)20(26)16-11-5-6-12-17(16)21-19(25)23(20)15-9-3-1-4-10-15/h1,3-6,9-12,26H,2,7-8,13-14H2,(H,21,25).
What are the key properties of 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one?
4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-4-(piperidine-1-carbonyl)-1H-quinazolin-2-one is sourced from PubChem (CID 2828274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).