2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one

C16H13ClN2O2 — CID 583515

IUPAC2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one
SMILESCn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3
InChIKeyDBGICQIDMMUZNS-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.17
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one

2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one (PubChem CID 583515) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one
PubChem CID583515
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one
SMILESCn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3
InChIKeyDBGICQIDMMUZNS-UHFFFAOYSA-N
XLogP3.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-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-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one (CID 583515) is 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one is Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one?
The InChIKey is DBGICQIDMMUZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one?
2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one has a molecular weight of 300.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 583515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).