6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one

C17H17ClN2O — CID 46232632

IUPAC6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1CCCc1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-15-8-9-16-14(11-15)12-20(17(21)19-16)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21)
InChIKeyLJZINGBASFKZGW-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.32
Rot. Bonds4

About 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one

6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one (PubChem CID 46232632) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one
PubChem CID46232632
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1CCCc1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-15-8-9-16-14(11-15)12-20(17(21)19-16)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21)
InChIKeyLJZINGBASFKZGW-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-3-(3-phenylpropyl)-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 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one (CID 46232632) is 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one is O=C1Nc2ccc(Cl)cc2CN1CCCc1ccccc1.
What is the InChIKey of 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is LJZINGBASFKZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-8-9-16-14(11-15)12-20(17(21)19-16)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,21).
What are the key properties of 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one?
6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 300.79 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-phenylpropyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 46232632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).