3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C12H10BrN3O — CID 135838183

IUPAC3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2c(c(=O)[nH]1)-c1ccc(Br)cc1CC2
InChIInChI=1S/C12H10BrN3O/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(17)16-12(14)15-9/h2-3,5H,1,4H2,(H3,14,15,16,17)
InChIKeyNRQYRGFHKMDBDL-UHFFFAOYSA-N
MW292.14 g/mol
LogP1.88
Rot. Bonds

About 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one

3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838183) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838183
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2c(c(=O)[nH]1)-c1ccc(Br)cc1CC2
InChIInChI=1S/C12H10BrN3O/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(17)16-12(14)15-9/h2-3,5H,1,4H2,(H3,14,15,16,17)
InChIKeyNRQYRGFHKMDBDL-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838183) is 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one is Nc1nc2c(c(=O)[nH]1)-c1ccc(Br)cc1CC2.
What is the InChIKey of 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is NRQYRGFHKMDBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(17)16-12(14)15-9/h2-3,5H,1,4H2,(H3,14,15,16,17).
What are the key properties of 3-amino-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
3-amino-8-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-8-bromo-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).