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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Related Compounds

4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870560
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine
CID 64983474
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 103400530
6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine
CID 64983231
4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine
CID 11565869
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452

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).