4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline

C16H11ClF2N2 — CID 114591652

IUPAC4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
SMILESCc1cc(F)cc(-c2nc(Cl)c3cc(C)c(F)cc3n2)c1
InChIInChI=1S/C16H11ClF2N2/c1-8-3-10(6-11(18)4-8)16-20-14-7-13(19)9(2)5-12(14)15(17)21-16/h3-7H,1-2H3
InChIKeyXJRDHFVWDHRFNT-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.85
Rot. Bonds1

About 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline

4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline (PubChem CID 114591652) has the molecular formula C16H11ClF2N2 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
PubChem CID114591652
Molecular FormulaC16H11ClF2N2
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
SMILESCc1cc(F)cc(-c2nc(Cl)c3cc(C)c(F)cc3n2)c1
InChIInChI=1S/C16H11ClF2N2/c1-8-3-10(6-11(18)4-8)16-20-14-7-13(19)9(2)5-12(14)15(17)21-16/h3-7H,1-2H3
InChIKeyXJRDHFVWDHRFNT-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
CID 114591260
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490
4-chloro-2-(2-chlorophenyl)-7-fluoro-6-methylquinazoline
CID 114591625
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
CID 114591279
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
2,4-dichloro-6-fluoro-7-methylquinazoline
CID 167510683
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
4-chloro-6,7-dimethyl-2-pyridin-4-ylquinazoline
CID 165083752

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline?
The IUPAC name of 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline (CID 114591652) is 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline.
What is the SMILES notation for 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline?
The canonical SMILES for 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline is Cc1cc(F)cc(-c2nc(Cl)c3cc(C)c(F)cc3n2)c1.
What is the InChIKey of 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline?
The InChIKey is XJRDHFVWDHRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2/c1-8-3-10(6-11(18)4-8)16-20-14-7-13(19)9(2)5-12(14)15(17)21-16/h3-7H,1-2H3.
What are the key properties of 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline?
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline has a molecular weight of 304.73 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline is sourced from PubChem (CID 114591652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).