4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline

C15H9Cl2FN2 — CID 114590235

IUPAC4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
SMILESCc1ccc(Cl)cc1-c1nc(Cl)c2c(F)cccc2n1
InChIInChI=1S/C15H9Cl2FN2/c1-8-5-6-9(16)7-10(8)15-19-12-4-2-3-11(18)13(12)14(17)20-15/h2-7H,1H3
InChIKeyQRRBANTUSFEGBW-UHFFFAOYSA-N
MW307.16 g/mol
LogP5.05
Rot. Bonds1

About 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline

4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline (PubChem CID 114590235) has the molecular formula C15H9Cl2FN2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
PubChem CID114590235
Molecular FormulaC15H9Cl2FN2
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
SMILESCc1ccc(Cl)cc1-c1nc(Cl)c2c(F)cccc2n1
InChIInChI=1S/C15H9Cl2FN2/c1-8-5-6-9(16)7-10(8)15-19-12-4-2-3-11(18)13(12)14(17)20-15/h2-7H,1H3
InChIKeyQRRBANTUSFEGBW-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.16
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline 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-(2,5-dimethylphenyl)-5-fluoroquinazoline
CID 114590227
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline
CID 163676674
4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
CID 63496783
4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870560

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline?
The IUPAC name of 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline (CID 114590235) is 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline?
The canonical SMILES for 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline is Cc1ccc(Cl)cc1-c1nc(Cl)c2c(F)cccc2n1.
What is the InChIKey of 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline?
The InChIKey is QRRBANTUSFEGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2/c1-8-5-6-9(16)7-10(8)15-19-12-4-2-3-11(18)13(12)14(17)20-15/h2-7H,1H3.
What are the key properties of 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline?
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline has a molecular weight of 307.16 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline is sourced from PubChem (CID 114590235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).