4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline

C15H9Cl2FN2 — CID 114590868

IUPAC4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
SMILESCc1cc(Cl)c2nc(-c3cccc(F)c3)nc(Cl)c2c1
InChIInChI=1S/C15H9Cl2FN2/c1-8-5-11-13(12(16)6-8)19-15(20-14(11)17)9-3-2-4-10(18)7-9/h2-7H,1H3
InChIKeyXGYSDTODHKFIMS-UHFFFAOYSA-N
MW307.16 g/mol
LogP5.05
Rot. Bonds1

About 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline

4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline (PubChem CID 114590868) has the molecular formula C15H9Cl2FN2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline.

Molecular Properties

Compound Name4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
PubChem CID114590868
Molecular FormulaC15H9Cl2FN2
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
SMILESCc1cc(Cl)c2nc(-c3cccc(F)c3)nc(Cl)c2c1
InChIInChI=1S/C15H9Cl2FN2/c1-8-5-11-13(12(16)6-8)19-15(20-14(11)17)9-3-2-4-10(18)7-9/h2-7H,1H3
InChIKeyXGYSDTODHKFIMS-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

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Related Compounds

4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
CID 114590827
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
CID 114591379
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline?
The IUPAC name of 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline (CID 114590868) is 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline.
What is the SMILES notation for 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline?
The canonical SMILES for 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline is Cc1cc(Cl)c2nc(-c3cccc(F)c3)nc(Cl)c2c1.
What is the InChIKey of 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline?
The InChIKey is XGYSDTODHKFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2/c1-8-5-11-13(12(16)6-8)19-15(20-14(11)17)9-3-2-4-10(18)7-9/h2-7H,1H3.
What are the key properties of 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline?
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline 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 4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline is sourced from PubChem (CID 114590868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).