4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline

C16H11Cl2FN2 — CID 114589505

IUPAC4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)c(F)c1
InChIInChI=1S/C16H11Cl2FN2/c1-8-3-4-10(13(19)7-8)16-20-14-9(2)12(17)6-5-11(14)15(18)21-16/h3-7H,1-2H3
InChIKeyAHGPELPWNFHZFA-UHFFFAOYSA-N
MW321.18 g/mol
LogP5.36
Rot. Bonds1

About 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline

4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline (PubChem CID 114589505) has the molecular formula C16H11Cl2FN2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
PubChem CID114589505
Molecular FormulaC16H11Cl2FN2
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
SMILESCc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)c(F)c1
InChIInChI=1S/C16H11Cl2FN2/c1-8-3-4-10(13(19)7-8)16-20-14-9(2)12(17)6-5-11(14)15(18)21-16/h3-7H,1-2H3
InChIKeyAHGPELPWNFHZFA-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

4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
CID 114591476
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
CID 114589554
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211
7-chloro-5-(2-fluoro-4-methylphenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045257
4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
CID 114590403
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
CID 114589548

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline?
The IUPAC name of 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline (CID 114589505) is 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline.
What is the SMILES notation for 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline?
The canonical SMILES for 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline is Cc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)c(F)c1.
What is the InChIKey of 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline?
The InChIKey is AHGPELPWNFHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2/c1-8-3-4-10(13(19)7-8)16-20-14-9(2)12(17)6-5-11(14)15(18)21-16/h3-7H,1-2H3.
What are the key properties of 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline?
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-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 4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline is sourced from PubChem (CID 114589505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).