2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one

C20H19N3O2 — CID 137281323

IUPAC2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1ccc2c(=O)[nH]c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C20H19N3O2/c24-19-16-10-9-15(20(25)23-11-5-2-6-12-23)13-17(16)21-18(22-19)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,22,24)
InChIKeyKTHDCLLFUXPSOA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.22
Rot. Bonds2

About 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one

2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one (PubChem CID 137281323) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one
PubChem CID137281323
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1ccc2c(=O)[nH]c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C20H19N3O2/c24-19-16-10-9-15(20(25)23-11-5-2-6-12-23)13-17(16)21-18(22-19)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,22,24)
InChIKeyKTHDCLLFUXPSOA-UHFFFAOYSA-N
XLogP3.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one (CID 137281323) is 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one is O=C(c1ccc2c(=O)[nH]c(-c3ccccc3)nc2c1)N1CCCCC1.
What is the InChIKey of 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one?
The InChIKey is KTHDCLLFUXPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19-16-10-9-15(20(25)23-11-5-2-6-12-23)13-17(16)21-18(22-19)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,22,24).
What are the key properties of 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one?
2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-(piperidine-1-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 137281323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).