4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline

C16H11Cl2FN2 — CID 106860924

IUPAC4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3c(F)ccc(C)c3n2)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2/c1-8-3-5-10(11(17)7-8)16-20-14-9(2)4-6-12(19)13(14)15(18)21-16/h3-7H,1-2H3
InChIKeyXSNRIJCYWSEFNE-UHFFFAOYSA-N
MW321.18 g/mol
LogP5.36
Rot. Bonds1

About 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline

4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline (PubChem CID 106860924) has the molecular formula C16H11Cl2FN2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
PubChem CID106860924
Molecular FormulaC16H11Cl2FN2
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3c(F)ccc(C)c3n2)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2/c1-8-3-5-10(11(17)7-8)16-20-14-9(2)4-6-12(19)13(14)15(18)21-16/h3-7H,1-2H3
InChIKeyXSNRIJCYWSEFNE-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.18
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline
CID 114590227
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
CID 114589887
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline (CID 106860924) is 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline is Cc1ccc(-c2nc(Cl)c3c(F)ccc(C)c3n2)c(Cl)c1.
What is the InChIKey of 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline?
The InChIKey is XSNRIJCYWSEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2/c1-8-3-5-10(11(17)7-8)16-20-14-9(2)4-6-12(19)13(14)15(18)21-16/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline?
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline has a molecular weight of 321.18 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline is sourced from PubChem (CID 106860924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).