2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one

C14H7BrF2N2O — CID 163404435

IUPAC2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H7BrF2N2O/c15-8-3-1-7(2-4-8)13-18-12-6-11(17)10(16)5-9(12)14(20)19-13/h1-6H,(H,18,19,20)
InChIKeyWLMCGXSMUXMEOV-UHFFFAOYSA-N
MW337.12 g/mol
LogP3.63
Rot. Bonds1

About 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one

2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one (PubChem CID 163404435) has the molecular formula C14H7BrF2N2O and a molecular weight of 337.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one
PubChem CID163404435
Molecular FormulaC14H7BrF2N2O
Molecular Weight337.12 g/mol
Exact Mass335.97
IUPAC Name2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H7BrF2N2O/c15-8-3-1-7(2-4-8)13-18-12-6-11(17)10(16)5-9(12)14(20)19-13/h1-6H,(H,18,19,20)
InChIKeyWLMCGXSMUXMEOV-UHFFFAOYSA-N
XLogP3.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one
CID 163404502
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404458
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one
CID 163404507
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
6,7-difluoro-2-(4-methoxy-2,5-dimethylphenyl)-3H-quinazolin-4-one
CID 163404460
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
CID 137195237

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one (CID 163404435) is 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(Br)cc2)nc2cc(F)c(F)cc12.
What is the InChIKey of 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one?
The InChIKey is WLMCGXSMUXMEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O/c15-8-3-1-7(2-4-8)13-18-12-6-11(17)10(16)5-9(12)14(20)19-13/h1-6H,(H,18,19,20).
What are the key properties of 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one?
2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one has a molecular weight of 337.12 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one is sourced from PubChem (CID 163404435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).