4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline

C16H12ClFN2 — CID 114590227

IUPAC4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline
SMILESCc1ccc(C)c(-c2nc(Cl)c3c(F)cccc3n2)c1
InChIInChI=1S/C16H12ClFN2/c1-9-6-7-10(2)11(8-9)16-19-13-5-3-4-12(18)14(13)15(17)20-16/h3-8H,1-2H3
InChIKeyOMZAOBLUKNDLNL-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.71
Rot. Bonds1

About 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline

4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline (PubChem CID 114590227) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline
PubChem CID114590227
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline
SMILESCc1ccc(C)c(-c2nc(Cl)c3c(F)cccc3n2)c1
InChIInChI=1S/C16H12ClFN2/c1-9-6-7-10(2)11(8-9)16-19-13-5-3-4-12(18)14(13)15(17)20-16/h3-8H,1-2H3
InChIKeyOMZAOBLUKNDLNL-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
CID 63496783
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
CID 63496973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline?
The IUPAC name of 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline (CID 114590227) is 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline?
The canonical SMILES for 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline is Cc1ccc(C)c(-c2nc(Cl)c3c(F)cccc3n2)c1.
What is the InChIKey of 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline?
The InChIKey is OMZAOBLUKNDLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-9-6-7-10(2)11(8-9)16-19-13-5-3-4-12(18)14(13)15(17)20-16/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline?
4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline has a molecular weight of 286.74 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline is sourced from PubChem (CID 114590227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).