6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one

C15H9Br2FN2O — CID 24596463

IUPAC6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1Br
InChIInChI=1S/C15H9Br2FN2O/c16-10-2-4-14-12(5-10)15(21)20(8-19-14)7-9-1-3-11(18)6-13(9)17/h1-6,8H,7H2
InChIKeyFAPNNQRZAHAADA-UHFFFAOYSA-N
MW412.06 g/mol
LogP4.11
Rot. Bonds2

About 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one

6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one (PubChem CID 24596463) has the molecular formula C15H9Br2FN2O and a molecular weight of 412.06 g/mol. Its IUPAC name is 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one
PubChem CID24596463
Molecular FormulaC15H9Br2FN2O
Molecular Weight412.06 g/mol
Exact Mass409.91
IUPAC Name6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1Br
InChIInChI=1S/C15H9Br2FN2O/c16-10-2-4-14-12(5-10)15(21)20(8-19-14)7-9-1-3-11(18)6-13(9)17/h1-6,8H,7H2
InChIKeyFAPNNQRZAHAADA-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.06
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-[(4-bromo-2-fluorophenyl)methyl]quinazolin-4-one
CID 43447734
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909
5-bromo-3-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 66310445
6-amino-3-[(2,4-difluorophenyl)methyl]quinazolin-4-one
CID 62197646
6-bromo-3-[2-(4-fluorophenyl)-2-hydroxyethyl]quinazolin-4-one
CID 51338339
6-bromo-3-[(2-phenoxyphenyl)methyl]quinazolin-4-one
CID 7488417
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one
CID 47112822
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one (CID 24596463) is 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1Br.
What is the InChIKey of 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one?
The InChIKey is FAPNNQRZAHAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FN2O/c16-10-2-4-14-12(5-10)15(21)20(8-19-14)7-9-1-3-11(18)6-13(9)17/h1-6,8H,7H2.
What are the key properties of 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one?
6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one has a molecular weight of 412.06 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 24596463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).