4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride

C25H27ClN4O — CID 45265840

IUPAC4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H26N4O.ClH/c30-25-27-23-12-5-4-11-22(23)24(19-8-2-1-3-9-19)29(25)21-13-16-28(17-14-21)18-20-10-6-7-15-26-20;/h1-12,15,21,24H,13-14,16-18H2,(H,27,30);1H
InChIKeyPWLQZXDUVNRNJI-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.10
Rot. Bonds4

About 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride

4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride (PubChem CID 45265840) has the molecular formula C25H27ClN4O and a molecular weight of 434.97 g/mol. Its IUPAC name is 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride
PubChem CID45265840
Molecular FormulaC25H27ClN4O
Molecular Weight434.97 g/mol
Exact Mass434.19
IUPAC Name4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H26N4O.ClH/c30-25-27-23-12-5-4-11-22(23)24(19-8-2-1-3-9-19)29(25)21-13-16-28(17-14-21)18-20-10-6-7-15-26-20;/h1-12,15,21,24H,13-14,16-18H2,(H,27,30);1H
InChIKeyPWLQZXDUVNRNJI-UHFFFAOYSA-N
XLogP5.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride 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-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride?
The IUPAC name of 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride (CID 45265840) is 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride.
What is the SMILES notation for 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride?
The canonical SMILES for 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride is Cl.O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride?
The InChIKey is PWLQZXDUVNRNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O.ClH/c30-25-27-23-12-5-4-11-22(23)24(19-8-2-1-3-9-19)29(25)21-13-16-28(17-14-21)18-20-10-6-7-15-26-20;/h1-12,15,21,24H,13-14,16-18H2,(H,27,30);1H.
What are the key properties of 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride?
4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride has a molecular weight of 434.97 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one;hydrochloride is sourced from PubChem (CID 45265840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).