4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline

C15H8Cl3FN2 — CID 63496972

IUPAC4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
SMILESCc1cc(-c2nc(Cl)c3cc(Cl)cc(Cl)c3n2)ccc1F
InChIInChI=1S/C15H8Cl3FN2/c1-7-4-8(2-3-12(7)19)15-20-13-10(14(18)21-15)5-9(16)6-11(13)17/h2-6H,1H3
InChIKeyVOKZFFNVLYEDGN-UHFFFAOYSA-N
MW341.60 g/mol
LogP5.70
Rot. Bonds1

About 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline

4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline (PubChem CID 63496972) has the molecular formula C15H8Cl3FN2 and a molecular weight of 341.60 g/mol. Its IUPAC name is 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline.

Molecular Properties

Compound Name4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
PubChem CID63496972
Molecular FormulaC15H8Cl3FN2
Molecular Weight341.60 g/mol
Exact Mass339.97
IUPAC Name4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
SMILESCc1cc(-c2nc(Cl)c3cc(Cl)cc(Cl)c3n2)ccc1F
InChIInChI=1S/C15H8Cl3FN2/c1-7-4-8(2-3-12(7)19)15-20-13-10(14(18)21-15)5-9(16)6-11(13)17/h2-6H,1H3
InChIKeyVOKZFFNVLYEDGN-UHFFFAOYSA-N
XLogP5.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.60
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline?
The IUPAC name of 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline (CID 63496972) is 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline.
What is the SMILES notation for 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline?
The canonical SMILES for 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline is Cc1cc(-c2nc(Cl)c3cc(Cl)cc(Cl)c3n2)ccc1F.
What is the InChIKey of 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline?
The InChIKey is VOKZFFNVLYEDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3FN2/c1-7-4-8(2-3-12(7)19)15-20-13-10(14(18)21-15)5-9(16)6-11(13)17/h2-6H,1H3.
What are the key properties of 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline?
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline has a molecular weight of 341.60 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline is sourced from PubChem (CID 63496972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).