4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline

C16H12ClFN2O — CID 114591446

IUPAC4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3ccc(F)c(C)c3n2)cc1
InChIInChI=1S/C16H12ClFN2O/c1-9-13(18)8-7-12-14(9)19-16(20-15(12)17)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKeyICFFNJDQCUYNRH-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline

4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline (PubChem CID 114591446) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
PubChem CID114591446
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccc(-c2nc(Cl)c3ccc(F)c(C)c3n2)cc1
InChIInChI=1S/C16H12ClFN2O/c1-9-13(18)8-7-12-14(9)19-16(20-15(12)17)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKeyICFFNJDQCUYNRH-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591533
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591070
4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
CID 114589554
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
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-(4-ethylphenyl)-8-methylquinazoline
CID 114589548
4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508
4-chloro-2-(2-fluoro-5-methylphenyl)-7-methoxyquinazoline
CID 114590560
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline?
The IUPAC name of 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline (CID 114591446) is 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline.
What is the SMILES notation for 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline?
The canonical SMILES for 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline is COc1ccc(-c2nc(Cl)c3ccc(F)c(C)c3n2)cc1.
What is the InChIKey of 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline?
The InChIKey is ICFFNJDQCUYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-13(18)8-7-12-14(9)19-16(20-15(12)17)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline?
4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline has a molecular weight of 302.74 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline is sourced from PubChem (CID 114591446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).