6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline

C15H9BrClFN2O — CID 114591292

IUPAC6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1
InChIInChI=1S/C15H9BrClFN2O/c1-21-9-4-2-3-8(5-9)15-19-13-7-12(18)11(16)6-10(13)14(17)20-15/h2-7H,1H3
InChIKeySYXDJPWCYHHHCO-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.86
Rot. Bonds2

About 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline

6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline (PubChem CID 114591292) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
PubChem CID114591292
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1
InChIInChI=1S/C15H9BrClFN2O/c1-21-9-4-2-3-8(5-9)15-19-13-7-12(18)11(16)6-10(13)14(17)20-15/h2-7H,1H3
InChIKeySYXDJPWCYHHHCO-UHFFFAOYSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
6-bromo-4-chloro-7-fluoro-2-(4-methylphenyl)quinazoline
CID 114591279
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)-7-fluoroquinazoline
CID 114591260
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
CID 15284500

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline?
The IUPAC name of 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline (CID 114591292) is 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline.
What is the SMILES notation for 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline?
The canonical SMILES for 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline is COc1cccc(-c2nc(Cl)c3cc(Br)c(F)cc3n2)c1.
What is the InChIKey of 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline?
The InChIKey is SYXDJPWCYHHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c1-21-9-4-2-3-8(5-9)15-19-13-7-12(18)11(16)6-10(13)14(17)20-15/h2-7H,1H3.
What are the key properties of 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline?
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline has a molecular weight of 367.61 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline is sourced from PubChem (CID 114591292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).