3-amino-8-bromo-2H-benzo[f]quinazolin-1-one

C12H8BrN3O — CID 135838177

IUPAC3-amino-8-bromo-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2ccc3cc(Br)ccc3c2c(=O)[nH]1
InChIInChI=1S/C12H8BrN3O/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(17)16-12(14)15-9/h1-5H,(H3,14,15,16,17)
InChIKeyFEQIANAJHPBQDL-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.42
Rot. Bonds

About 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one

3-amino-8-bromo-2H-benzo[f]quinazolin-1-one (PubChem CID 135838177) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-8-bromo-2H-benzo[f]quinazolin-1-one
PubChem CID135838177
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name3-amino-8-bromo-2H-benzo[f]quinazolin-1-one
SMILESNc1nc2ccc3cc(Br)ccc3c2c(=O)[nH]1
InChIInChI=1S/C12H8BrN3O/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(17)16-12(14)15-9/h1-5H,(H3,14,15,16,17)
InChIKeyFEQIANAJHPBQDL-UHFFFAOYSA-N
XLogP2.42
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-Amino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135422913
3-amino-9-ethynyl benzo[f]quinazolin-1(2H)-one
CID 135622210
3-amino-9-bromo-10-nitrobenzo[f]quinazolin-1(2H)-one
CID 135838102
3-amino-9-vinylbenzo[f]quinazolin-1(2H)-one
CID 135838121
3,10-diamino-9-bromobenzo[f]quinazolin-1(2H)-one
CID 135838125
9-bromo-3-methylbenzo[f]quinazolin-1(2H)-one
CID 135838155
N-(9-bromo-1-oxo-2H-benzo[f]quinazolin-3-yl)formamide
CID 135838161
3,9-diaminobenzo[f]quinazolin-1(2H)-one
CID 135838175
3-(benzylamino)-7-bromobenzo-[f]quinazolin-1(2H)-one
CID 135838187
3-amino-9-ethylbenzo[f]-quinazolin-1(2H)-one
CID 135838205
3-amino-9-methyl-2H-benzo[f]quinazolin-1-one
CID 135838211
3-amino-6-methyl-2H-benzo[f]quinazolin-1-one
CID 135838214

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one (CID 135838177) is 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one is Nc1nc2ccc3cc(Br)ccc3c2c(=O)[nH]1.
What is the InChIKey of 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one?
The InChIKey is FEQIANAJHPBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(17)16-12(14)15-9/h1-5H,(H3,14,15,16,17).
What are the key properties of 3-amino-8-bromo-2H-benzo[f]quinazolin-1-one?
3-amino-8-bromo-2H-benzo[f]quinazolin-1-one has a molecular weight of 290.12 g/mol, XLogP of 2.42, 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-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).