4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline

C10H7Cl3N2O — CID 90016892

IUPAC4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline
SMILESCOc1c(Cl)ccc2nc(CCl)nc(Cl)c12
InChIInChI=1S/C10H7Cl3N2O/c1-16-9-5(12)2-3-6-8(9)10(13)15-7(4-11)14-6/h2-3H,4H2,1H3
InChIKeyQSEMEYTWPAJPFR-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.68
Rot. Bonds2

About 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline

4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline (PubChem CID 90016892) has the molecular formula C10H7Cl3N2O and a molecular weight of 277.54 g/mol. Its IUPAC name is 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline.

Molecular Properties

Compound Name4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline
PubChem CID90016892
Molecular FormulaC10H7Cl3N2O
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline
SMILESCOc1c(Cl)ccc2nc(CCl)nc(Cl)c12
InChIInChI=1S/C10H7Cl3N2O/c1-16-9-5(12)2-3-6-8(9)10(13)15-7(4-11)14-6/h2-3H,4H2,1H3
InChIKeyQSEMEYTWPAJPFR-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline 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 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline?
The IUPAC name of 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline (CID 90016892) is 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline.
What is the SMILES notation for 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline?
The canonical SMILES for 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline is COc1c(Cl)ccc2nc(CCl)nc(Cl)c12.
What is the InChIKey of 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline?
The InChIKey is QSEMEYTWPAJPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O/c1-16-9-5(12)2-3-6-8(9)10(13)15-7(4-11)14-6/h2-3H,4H2,1H3.
What are the key properties of 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline?
4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline has a molecular weight of 277.54 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(chloromethyl)-5-methoxyquinazoline is sourced from PubChem (CID 90016892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).