2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one

C20H21N5O2 — CID 78592469

IUPAC2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one
SMILESO=C1N=C(CCC(=O)N2CCN(c3ccccn3)CC2)N=C2C=CC=CC12
InChIInChI=1S/C20H21N5O2/c26-19(25-13-11-24(12-14-25)18-7-3-4-10-21-18)9-8-17-22-16-6-2-1-5-15(16)20(27)23-17/h1-7,10,15H,8-9,11-14H2
InChIKeyHYRVQEXOESIYCW-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.63
Rot. Bonds4

About 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one

2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one (PubChem CID 78592469) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one
PubChem CID78592469
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one
SMILESO=C1N=C(CCC(=O)N2CCN(c3ccccn3)CC2)N=C2C=CC=CC12
InChIInChI=1S/C20H21N5O2/c26-19(25-13-11-24(12-14-25)18-7-3-4-10-21-18)9-8-17-22-16-6-2-1-5-15(16)20(27)23-17/h1-7,10,15H,8-9,11-14H2
InChIKeyHYRVQEXOESIYCW-UHFFFAOYSA-N
XLogP1.63
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one?
The IUPAC name of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one (CID 78592469) is 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one.
What is the SMILES notation for 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one?
The canonical SMILES for 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one is O=C1N=C(CCC(=O)N2CCN(c3ccccn3)CC2)N=C2C=CC=CC12.
What is the InChIKey of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one?
The InChIKey is HYRVQEXOESIYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(25-13-11-24(12-14-25)18-7-3-4-10-21-18)9-8-17-22-16-6-2-1-5-15(16)20(27)23-17/h1-7,10,15H,8-9,11-14H2.
What are the key properties of 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one?
2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4aH-quinazolin-4-one is sourced from PubChem (CID 78592469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).