4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one

C19H21N3O — CID 19423615

IUPAC4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
SMILESO=C1NC(c2ccccc2)c2ccccc2N1C1CCNCC1
InChIInChI=1S/C19H21N3O/c23-19-21-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)22(19)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2,(H,21,23)
InChIKeyJRBWJGMVOYVDHY-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.06
Rot. Bonds2

About 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one

4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one (PubChem CID 19423615) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
PubChem CID19423615
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
SMILESO=C1NC(c2ccccc2)c2ccccc2N1C1CCNCC1
InChIInChI=1S/C19H21N3O/c23-19-21-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)22(19)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2,(H,21,23)
InChIKeyJRBWJGMVOYVDHY-UHFFFAOYSA-N
XLogP3.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-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 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one (CID 19423615) is 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one is O=C1NC(c2ccccc2)c2ccccc2N1C1CCNCC1.
What is the InChIKey of 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is JRBWJGMVOYVDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19-21-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)22(19)15-10-12-20-13-11-15/h1-9,15,18,20H,10-13H2,(H,21,23).
What are the key properties of 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one?
4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 307.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 19423615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).