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

C15H10BrClN2O — CID 800705

IUPAC6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-11-3-6-14-13(7-11)15(20)19(9-18-14)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2
InChIKeyJREAWARDYGRSLV-UHFFFAOYSA-N
MW349.62 g/mol
LogP3.86
Rot. Bonds2

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

6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one (PubChem CID 800705) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
PubChem CID800705
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-11-3-6-14-13(7-11)15(20)19(9-18-14)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2
InChIKeyJREAWARDYGRSLV-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 4531532
6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one
CID 47112822
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 55706621
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
CID 17409122

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one (CID 800705) is 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The InChIKey is JREAWARDYGRSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-11-3-6-14-13(7-11)15(20)19(9-18-14)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2.
What are the key properties of 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one has a molecular weight of 349.62 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 800705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).