2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline

C17H17ClN2O2 — CID 86052649

IUPAC2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline
SMILESCOC1(OC)N=C(c2ccc(Cl)cc2)N(C)c2ccccc21
InChIInChI=1S/C17H17ClN2O2/c1-20-15-7-5-4-6-14(15)17(21-2,22-3)19-16(20)12-8-10-13(18)11-9-12/h4-11H,1-3H3
InChIKeyZKUCSIDVDDXPMV-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline

2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline (PubChem CID 86052649) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline
PubChem CID86052649
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline
SMILESCOC1(OC)N=C(c2ccc(Cl)cc2)N(C)c2ccccc21
InChIInChI=1S/C17H17ClN2O2/c1-20-15-7-5-4-6-14(15)17(21-2,22-3)19-16(20)12-8-10-13(18)11-9-12/h4-11H,1-3H3
InChIKeyZKUCSIDVDDXPMV-UHFFFAOYSA-N
XLogP3.64
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline 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-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline (CID 86052649) is 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline is COC1(OC)N=C(c2ccc(Cl)cc2)N(C)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline?
The InChIKey is ZKUCSIDVDDXPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-20-15-7-5-4-6-14(15)17(21-2,22-3)19-16(20)12-8-10-13(18)11-9-12/h4-11H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline?
2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline has a molecular weight of 316.79 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline is sourced from PubChem (CID 86052649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).