4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline

C17H15ClN2O — CID 114590549

IUPAC4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cccc(C)c3C)nc2c1
InChIInChI=1S/C17H15ClN2O/c1-10-5-4-6-13(11(10)2)17-19-15-9-12(21-3)7-8-14(15)16(18)20-17/h4-9H,1-3H3
InChIKeyPYVXKQXWTKOCSW-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.58
Rot. Bonds2

About 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline

4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline (PubChem CID 114590549) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
PubChem CID114590549
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cccc(C)c3C)nc2c1
InChIInChI=1S/C17H15ClN2O/c1-10-5-4-6-13(11(10)2)17-19-15-9-12(21-3)7-8-14(15)16(18)20-17/h4-9H,1-3H3
InChIKeyPYVXKQXWTKOCSW-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(2-chloro-3-fluorophenyl)-7-methoxyquinazoline
CID 114590589
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
CID 114590560
4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
CID 63496973
4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline
CID 114589357
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline?
The IUPAC name of 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline (CID 114590549) is 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline.
What is the SMILES notation for 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline?
The canonical SMILES for 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline is COc1ccc2c(Cl)nc(-c3cccc(C)c3C)nc2c1.
What is the InChIKey of 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline?
The InChIKey is PYVXKQXWTKOCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-5-4-6-13(11(10)2)17-19-15-9-12(21-3)7-8-14(15)16(18)20-17/h4-9H,1-3H3.
What are the key properties of 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline?
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline has a molecular weight of 298.77 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline is sourced from PubChem (CID 114590549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).