7-(2-bromoacetyl)-3H-quinazolin-4-one

C10H7BrN2O2 — CID 135714637

IUPAC7-(2-bromoacetyl)-3H-quinazolin-4-one
SMILESO=C(CBr)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C10H7BrN2O2/c11-4-9(14)6-1-2-7-8(3-6)12-5-13-10(7)15/h1-3,5H,4H2,(H,12,13,15)
InChIKeyMAKPCGXLLBVBAV-UHFFFAOYSA-N
MW267.08 g/mol
LogP1.50
Rot. Bonds2

About 7-(2-bromoacetyl)-3H-quinazolin-4-one

7-(2-bromoacetyl)-3H-quinazolin-4-one (PubChem CID 135714637) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 7-(2-bromoacetyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(2-bromoacetyl)-3H-quinazolin-4-one
PubChem CID135714637
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name7-(2-bromoacetyl)-3H-quinazolin-4-one
SMILESO=C(CBr)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C10H7BrN2O2/c11-4-9(14)6-1-2-7-8(3-6)12-5-13-10(7)15/h1-3,5H,4H2,(H,12,13,15)
InChIKeyMAKPCGXLLBVBAV-UHFFFAOYSA-N
XLogP1.50
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(2-hydroxyacetyl)-3H-quinazolin-4-one
CID 158775272
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
CID 135633054
2-bromo-1-[7-(2-bromoacetyl)phenazin-2-yl]ethanone
CID 87114794
7-(2,2-difluoroethyl)-3H-quinazolin-4-one
CID 155734124
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
7-(1,2-dihydroxy-3-sulfanylpropyl)-3H-quinazolin-4-one
CID 170820639
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-4-oxo-3H-quinazoline-7-carboxamide
CID 154873280
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976
2-bromo-1-[7-(2-bromoacetyl)dibenzothiophen-3-yl]ethanone
CID 59610318
7-(3-sulfanylprop-1-ynyl)-3H-quinazolin-4-one
CID 169487286

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromoacetyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(2-bromoacetyl)-3H-quinazolin-4-one (CID 135714637) is 7-(2-bromoacetyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(2-bromoacetyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(2-bromoacetyl)-3H-quinazolin-4-one is O=C(CBr)c1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 7-(2-bromoacetyl)-3H-quinazolin-4-one?
The InChIKey is MAKPCGXLLBVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-4-9(14)6-1-2-7-8(3-6)12-5-13-10(7)15/h1-3,5H,4H2,(H,12,13,15).
What are the key properties of 7-(2-bromoacetyl)-3H-quinazolin-4-one?
7-(2-bromoacetyl)-3H-quinazolin-4-one has a molecular weight of 267.08 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromoacetyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135714637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).