3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C12H10BrN3O — CID 135838178

IUPAC3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2c(c(=O)[nH]1)-c1cccc(Br)c1CC2
InChIInChI=1S/C12H10BrN3O/c13-8-3-1-2-7-6(8)4-5-9-10(7)11(17)16-12(14)15-9/h1-3H,4-5H2,(H3,14,15,16,17)
InChIKeyHIQZFHOHQWZJSV-UHFFFAOYSA-N
MW292.14 g/mol
LogP1.88
Rot. Bonds

About 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one

3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838178) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838178
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2c(c(=O)[nH]1)-c1cccc(Br)c1CC2
InChIInChI=1S/C12H10BrN3O/c13-8-3-1-2-7-6(8)4-5-9-10(7)11(17)16-12(14)15-9/h1-3H,4-5H2,(H3,14,15,16,17)
InChIKeyHIQZFHOHQWZJSV-UHFFFAOYSA-N
XLogP1.88
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838183
3-amino-9-chloro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838124
4-bromo-2,3-dihydroinden-1-one;methanamine
CID 174616015
3-amino-9-ethylsulfanyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838173
2-amino-8-(3-bromo-2-fluorophenyl)-1,7-dihydropurin-6-one
CID 136790568
5-bromo-3,4-dihydroisochromen-1-one
CID 118407465
1-bromo-9,10-dihydrophenanthrene
CID 147917753
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 135432076
2-[[5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl]isoindole-1,3-dione
CID 135943785
2-amino-9-(2-bromophenyl)-1H-purin-6-one
CID 135491134
2-amino-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917253

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838178) is 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one is Nc1nc2c(c(=O)[nH]1)-c1cccc(Br)c1CC2.
What is the InChIKey of 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is HIQZFHOHQWZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-8-3-1-2-7-6(8)4-5-9-10(7)11(17)16-12(14)15-9/h1-3H,4-5H2,(H3,14,15,16,17).
What are the key properties of 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one has a molecular weight of 292.14 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).