4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline

C15H8Cl2F2N2 — CID 114591679

IUPAC4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
SMILESCc1ccc(Cl)c2nc(-c3cccc(F)c3F)nc(Cl)c12
InChIInChI=1S/C15H8Cl2F2N2/c1-7-5-6-9(16)13-11(7)14(17)21-15(20-13)8-3-2-4-10(18)12(8)19/h2-6H,1H3
InChIKeyWQKPXJUHQYPIMV-UHFFFAOYSA-N
MW325.15 g/mol
LogP5.19
Rot. Bonds1

About 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline

4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline (PubChem CID 114591679) 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)-5-methylquinazoline.

Molecular Properties

Compound Name4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
PubChem CID114591679
Molecular FormulaC15H8Cl2F2N2
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
SMILESCc1ccc(Cl)c2nc(-c3cccc(F)c3F)nc(Cl)c12
InChIInChI=1S/C15H8Cl2F2N2/c1-7-5-6-9(16)13-11(7)14(17)21-15(20-13)8-3-2-4-10(18)12(8)19/h2-6H,1H3
InChIKeyWQKPXJUHQYPIMV-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

4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
CID 114591688
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline?
The IUPAC name of 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline (CID 114591679) is 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline.
What is the SMILES notation for 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline?
The canonical SMILES for 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline is Cc1ccc(Cl)c2nc(-c3cccc(F)c3F)nc(Cl)c12.
What is the InChIKey of 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline?
The InChIKey is WQKPXJUHQYPIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2/c1-7-5-6-9(16)13-11(7)14(17)21-15(20-13)8-3-2-4-10(18)12(8)19/h2-6H,1H3.
What are the key properties of 4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline?
4,8-dichloro-2-(2,3-difluorophenyl)-5-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)-5-methylquinazoline is sourced from PubChem (CID 114591679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).