4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline

C15H8ClF3N2 — CID 114591658

IUPAC4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
SMILESCc1cc2c(Cl)nc(-c3c(F)cccc3F)nc2cc1F
InChIInChI=1S/C15H8ClF3N2/c1-7-5-8-12(6-11(7)19)20-15(21-14(8)16)13-9(17)3-2-4-10(13)18/h2-6H,1H3
InChIKeyLIAGSFLLWDPKDL-UHFFFAOYSA-N
MW308.69 g/mol
LogP4.68
Rot. Bonds1

About 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline

4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline (PubChem CID 114591658) has the molecular formula C15H8ClF3N2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
PubChem CID114591658
Molecular FormulaC15H8ClF3N2
Molecular Weight308.69 g/mol
Exact Mass308.03
IUPAC Name4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
SMILESCc1cc2c(Cl)nc(-c3c(F)cccc3F)nc2cc1F
InChIInChI=1S/C15H8ClF3N2/c1-7-5-8-12(6-11(7)19)20-15(21-14(8)16)13-9(17)3-2-4-10(13)18/h2-6H,1H3
InChIKeyLIAGSFLLWDPKDL-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
4-chloro-2-(2-chlorophenyl)-7-fluoro-6-methylquinazoline
CID 114591625
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
CID 114590924
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
2,4-dichloro-6-fluoro-7-methylquinazoline
CID 167510683
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
CID 114591279
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline?
The IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline (CID 114591658) is 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline is Cc1cc2c(Cl)nc(-c3c(F)cccc3F)nc2cc1F.
What is the InChIKey of 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline?
The InChIKey is LIAGSFLLWDPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2/c1-7-5-8-12(6-11(7)19)20-15(21-14(8)16)13-9(17)3-2-4-10(13)18/h2-6H,1H3.
What are the key properties of 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline?
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline has a molecular weight of 308.69 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline is sourced from PubChem (CID 114591658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).