4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline

C16H12ClFN2 — CID 114591452

IUPAC4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(Cl)c3ccc(F)c(C)c3n2)c1
InChIInChI=1S/C16H12ClFN2/c1-9-4-3-5-11(8-9)16-19-14-10(2)13(18)7-6-12(14)15(17)20-16/h3-8H,1-2H3
InChIKeyIPEXNSFLYRMFLU-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.71
Rot. Bonds1

About 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline

4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline (PubChem CID 114591452) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
PubChem CID114591452
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(Cl)c3ccc(F)c(C)c3n2)c1
InChIInChI=1S/C16H12ClFN2/c1-9-4-3-5-11(8-9)16-19-14-10(2)13(18)7-6-12(14)15(17)20-16/h3-8H,1-2H3
InChIKeyIPEXNSFLYRMFLU-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-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
CID 114591476
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
CID 114591688
3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590420
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
CID 63612987
4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline (CID 114591452) is 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline is Cc1cccc(-c2nc(Cl)c3ccc(F)c(C)c3n2)c1.
What is the InChIKey of 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline?
The InChIKey is IPEXNSFLYRMFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-9-4-3-5-11(8-9)16-19-14-10(2)13(18)7-6-12(14)15(17)20-16/h3-8H,1-2H3.
What are the key properties of 4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline?
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline 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-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline is sourced from PubChem (CID 114591452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).