4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline

C15H9ClF2N2 — CID 63084490

IUPAC4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1F
InChIInChI=1S/C15H9ClF2N2/c1-8-2-3-9(6-12(8)18)15-19-13-5-4-10(17)7-11(13)14(16)20-15/h2-7H,1H3
InChIKeyBLDLRNOKRXRLRZ-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.54
Rot. Bonds1

About 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline

4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline (PubChem CID 63084490) has the molecular formula C15H9ClF2N2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
PubChem CID63084490
Molecular FormulaC15H9ClF2N2
Molecular Weight290.70 g/mol
Exact Mass290.04
IUPAC Name4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1F
InChIInChI=1S/C15H9ClF2N2/c1-8-2-3-9(6-12(8)18)15-19-13-5-4-10(17)7-11(13)14(16)20-15/h2-7H,1H3
InChIKeyBLDLRNOKRXRLRZ-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline 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-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline (CID 63084490) is 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline is Cc1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1F.
What is the InChIKey of 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline?
The InChIKey is BLDLRNOKRXRLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2/c1-8-2-3-9(6-12(8)18)15-19-13-5-4-10(17)7-11(13)14(16)20-15/h2-7H,1H3.
What are the key properties of 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline?
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline has a molecular weight of 290.70 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline is sourced from PubChem (CID 63084490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).