4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline

C14H6Cl2F2N2 — CID 114590146

IUPAC4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
SMILESFc1cc2nc(-c3cccc(Cl)c3)nc(Cl)c2cc1F
InChIInChI=1S/C14H6Cl2F2N2/c15-8-3-1-2-7(4-8)14-19-12-6-11(18)10(17)5-9(12)13(16)20-14/h1-6H
InChIKeyVALMHKPCDUTIEN-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.88
Rot. Bonds1

About 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline

4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline (PubChem CID 114590146) has the molecular formula C14H6Cl2F2N2 and a molecular weight of 311.12 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
PubChem CID114590146
Molecular FormulaC14H6Cl2F2N2
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
SMILESFc1cc2nc(-c3cccc(Cl)c3)nc(Cl)c2cc1F
InChIInChI=1S/C14H6Cl2F2N2/c15-8-3-1-2-7(4-8)14-19-12-6-11(18)10(17)5-9(12)13(16)20-14/h1-6H
InChIKeyVALMHKPCDUTIEN-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
CID 114591260
6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
CID 114591279
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
CID 114591379
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline?
The IUPAC name of 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline (CID 114590146) is 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline?
The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline is Fc1cc2nc(-c3cccc(Cl)c3)nc(Cl)c2cc1F.
What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline?
The InChIKey is VALMHKPCDUTIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F2N2/c15-8-3-1-2-7(4-8)14-19-12-6-11(18)10(17)5-9(12)13(16)20-14/h1-6H.
What are the key properties of 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline?
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline has a molecular weight of 311.12 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline is sourced from PubChem (CID 114590146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).