6-amino-5-bromo-1H-quinolin-2-one

C9H7BrN2O — CID 97033406

IUPAC6-amino-5-bromo-1H-quinolin-2-one
SMILESNc1ccc2[nH]c(=O)ccc2c1Br
InChIInChI=1S/C9H7BrN2O/c10-9-5-1-4-8(13)12-7(5)3-2-6(9)11/h1-4H,11H2,(H,12,13)
InChIKeyHYONZMYWSXBKRO-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.87
Rot. Bonds

About 6-amino-5-bromo-1H-quinolin-2-one

6-amino-5-bromo-1H-quinolin-2-one (PubChem CID 97033406) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-amino-5-bromo-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-5-bromo-1H-quinolin-2-one
PubChem CID97033406
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-amino-5-bromo-1H-quinolin-2-one
SMILESNc1ccc2[nH]c(=O)ccc2c1Br
InChIInChI=1S/C9H7BrN2O/c10-9-5-1-4-8(13)12-7(5)3-2-6(9)11/h1-4H,11H2,(H,12,13)
InChIKeyHYONZMYWSXBKRO-UHFFFAOYSA-N
XLogP1.87
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-oxo-1H-quinoline-5-carboxylic acid
CID 63240224
5-amino-6-methyl-1H-quinolin-2-one
CID 22226614
5-amino-4-bromo-1H-indole-2-carboxylic acid
CID 82380856
propyl 6-amino-2-oxo-1H-quinoline-5-carboxylate
CID 63240270
5-bromo-1,6-dimethylquinolin-2-one;5-bromo-6-methyl-1H-quinolin-2-one
CID 159361539
5-amino-6-fluoro-1H-pyridin-2-one;hydrochloride
CID 178200378
6-chloro-5-methoxy-1H-quinolin-2-one
CID 59141010
5-amino-6-(1-propylsulfanylethyl)-1H-quinolin-2-one
CID 10400490
6H-[1,2]oxazolo[4,5-f]quinolin-7-one
CID 70483060
5-chloro-6-(methylamino)-1H-quinolin-2-one
CID 14168342
7-bromo-5-methoxy-1H-quinolin-2-one
CID 165134344
5,6-diamino-1,4-dihydroquinoxaline-2,3-dione
CID 19915787

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1H-quinolin-2-one?
The IUPAC name of 6-amino-5-bromo-1H-quinolin-2-one (CID 97033406) is 6-amino-5-bromo-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-5-bromo-1H-quinolin-2-one?
The canonical SMILES for 6-amino-5-bromo-1H-quinolin-2-one is Nc1ccc2[nH]c(=O)ccc2c1Br.
What is the InChIKey of 6-amino-5-bromo-1H-quinolin-2-one?
The InChIKey is HYONZMYWSXBKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-9-5-1-4-8(13)12-7(5)3-2-6(9)11/h1-4H,11H2,(H,12,13).
What are the key properties of 6-amino-5-bromo-1H-quinolin-2-one?
6-amino-5-bromo-1H-quinolin-2-one has a molecular weight of 239.07 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1H-quinolin-2-one is sourced from PubChem (CID 97033406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).