(3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one

C9H9BrN2O2 — CID 130606580

IUPAC(3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Br)ccc2N(O)C1=O
InChIInChI=1S/C9H9BrN2O2/c10-6-1-2-8-5(3-6)4-7(11)9(13)12(8)14/h1-3,7,14H,4,11H2/t7-/m0/s1
InChIKeyPFIWIIFQODWAFC-ZETCQYMHSA-N
MW257.09 g/mol
LogP1.05
Rot. Bonds

About (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 130606580) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID130606580
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name(3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(Br)ccc2N(O)C1=O
InChIInChI=1S/C9H9BrN2O2/c10-6-1-2-8-5(3-6)4-7(11)9(13)12(8)14/h1-3,7,14H,4,11H2/t7-/m0/s1
InChIKeyPFIWIIFQODWAFC-ZETCQYMHSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one (CID 130606580) is (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cc(Br)ccc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is PFIWIIFQODWAFC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-6-1-2-8-5(3-6)4-7(11)9(13)12(8)14/h1-3,7,14H,4,11H2/t7-/m0/s1.
What are the key properties of (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 257.09 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-bromo-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 130606580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).