4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline

C15H10ClFN2 — CID 114590256

IUPAC4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(Cl)c2c(F)cccc2n1
InChIInChI=1S/C15H10ClFN2/c1-9-5-2-3-6-10(9)15-18-12-8-4-7-11(17)13(12)14(16)19-15/h2-8H,1H3
InChIKeyXAAVPUNWQLKZHE-UHFFFAOYSA-N
MW272.71 g/mol
LogP4.40
Rot. Bonds1

About 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline

4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline (PubChem CID 114590256) has the molecular formula C15H10ClFN2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
PubChem CID114590256
Molecular FormulaC15H10ClFN2
Molecular Weight272.71 g/mol
Exact Mass272.05
IUPAC Name4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(Cl)c2c(F)cccc2n1
InChIInChI=1S/C15H10ClFN2/c1-9-5-2-3-6-10(9)15-18-12-8-4-7-11(17)13(12)14(16)19-15/h2-8H,1H3
InChIKeyXAAVPUNWQLKZHE-UHFFFAOYSA-N
XLogP4.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235
4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline
CID 114590227
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
CID 107960337
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline (CID 114590256) is 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline is Cc1ccccc1-c1nc(Cl)c2c(F)cccc2n1.
What is the InChIKey of 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline?
The InChIKey is XAAVPUNWQLKZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2/c1-9-5-2-3-6-10(9)15-18-12-8-4-7-11(17)13(12)14(16)19-15/h2-8H,1H3.
What are the key properties of 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline?
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline has a molecular weight of 272.71 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline is sourced from PubChem (CID 114590256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).