4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline

C15H8Cl2F2N2 — CID 114590823

IUPAC4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
SMILESCc1cc(Cl)c2nc(-c3cccc(F)c3F)nc(Cl)c2c1
InChIInChI=1S/C15H8Cl2F2N2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)17)8-3-2-4-11(18)12(8)19/h2-6H,1H3
InChIKeyGHJMPFJLGJPYSA-UHFFFAOYSA-N
MW325.15 g/mol
LogP5.19
Rot. Bonds1

About 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline

4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline (PubChem CID 114590823) has the molecular formula C15H8Cl2F2N2 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline.

Molecular Properties

Compound Name4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
PubChem CID114590823
Molecular FormulaC15H8Cl2F2N2
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
SMILESCc1cc(Cl)c2nc(-c3cccc(F)c3F)nc(Cl)c2c1
InChIInChI=1S/C15H8Cl2F2N2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)17)8-3-2-4-11(18)12(8)19/h2-6H,1H3
InChIKeyGHJMPFJLGJPYSA-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.15
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
CID 114590827
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
CID 114591679
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870560
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
CID 114590924

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
The IUPAC name of 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline (CID 114590823) is 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline.
What is the SMILES notation for 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
The canonical SMILES for 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline is Cc1cc(Cl)c2nc(-c3cccc(F)c3F)nc(Cl)c2c1.
What is the InChIKey of 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
The InChIKey is GHJMPFJLGJPYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2/c1-7-5-9-13(10(16)6-7)20-15(21-14(9)17)8-3-2-4-11(18)12(8)19/h2-6H,1H3.
What are the key properties of 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline?
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline has a molecular weight of 325.15 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline is sourced from PubChem (CID 114590823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).