3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

C21H24ClN3O2 — CID 3061387

IUPAC3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-17-7-5-15(6-8-17)20(26)14-24-11-9-18(10-12-24)25-13-16-3-1-2-4-19(16)23-21(25)27/h1-8,18,20,26H,9-14H2,(H,23,27)
InChIKeyORFSHJLTINQEGN-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.89
Rot. Bonds4

About 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (PubChem CID 3061387) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
PubChem CID3061387
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-17-7-5-15(6-8-17)20(26)14-24-11-9-18(10-12-24)25-13-16-3-1-2-4-19(16)23-21(25)27/h1-8,18,20,26H,9-14H2,(H,23,27)
InChIKeyORFSHJLTINQEGN-UHFFFAOYSA-N
XLogP3.89
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-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 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (CID 3061387) is 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2CN1C1CCN(CC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The InChIKey is ORFSHJLTINQEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-7-5-15(6-8-17)20(26)14-24-11-9-18(10-12-24)25-13-16-3-1-2-4-19(16)23-21(25)27/h1-8,18,20,26H,9-14H2,(H,23,27).
What are the key properties of 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one has a molecular weight of 385.90 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 3061387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).