7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one

C15H9Br2ClN2O — CID 115626505

IUPAC7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H9Br2ClN2O/c16-10-2-1-9(13(18)5-10)7-20-8-19-14-6-11(17)3-4-12(14)15(20)21/h1-6,8H,7H2
InChIKeyYDUJFWLWUWFGES-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.62
Rot. Bonds2

About 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one

7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one (PubChem CID 115626505) has the molecular formula C15H9Br2ClN2O and a molecular weight of 428.51 g/mol. Its IUPAC name is 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
PubChem CID115626505
Molecular FormulaC15H9Br2ClN2O
Molecular Weight428.51 g/mol
Exact Mass425.88
IUPAC Name7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H9Br2ClN2O/c16-10-2-1-9(13(18)5-10)7-20-8-19-14-6-11(17)3-4-12(14)15(20)21/h1-6,8H,7H2
InChIKeyYDUJFWLWUWFGES-UHFFFAOYSA-N
XLogP4.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822
7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
CID 115299855
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
CID 78961139
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
3-[(2-chloro-4-methylphenyl)methyl]-6-iodoquinazolin-4-one
CID 106870858
7-bromo-3-[(1-ethylpyrazol-4-yl)methyl]quinazolin-4-one
CID 115299850

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one (CID 115626505) is 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1Cc1ccc(Br)cc1Cl.
What is the InChIKey of 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one?
The InChIKey is YDUJFWLWUWFGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2O/c16-10-2-1-9(13(18)5-10)7-20-8-19-14-6-11(17)3-4-12(14)15(20)21/h1-6,8H,7H2.
What are the key properties of 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one?
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one has a molecular weight of 428.51 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 115626505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).