8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one

C9H8N2O4 — CID 13051072

IUPAC8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])cc(O)c2N1
InChIInChI=1S/C9H8N2O4/c12-7-4-6(11(14)15)3-5-1-2-8(13)10-9(5)7/h3-4,12H,1-2H2,(H,10,13)
InChIKeyYAKYKFNYTQBDOW-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.19
Rot. Bonds1

About 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one

8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13051072) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID13051072
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])cc(O)c2N1
InChIInChI=1S/C9H8N2O4/c12-7-4-6(11(14)15)3-5-1-2-8(13)10-9(5)7/h3-4,12H,1-2H2,(H,10,13)
InChIKeyYAKYKFNYTQBDOW-UHFFFAOYSA-N
XLogP1.19
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 71376841
8-fluoro-6-nitro-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-nitro-1,2,3,4-tetrahydroquinoline
CID 159216433
6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330
5-nitrobenzene-1,2,3-triol
CID 19910425
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
15,16-dimethyl-6,13-dinitrotricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 11727129
8-nitro-1,3,4,6-tetrahydro-1,6-benzodiazocine-2,5-dione
CID 5252616
2,5-dinitrobenzene-1,3-diol
CID 89183388
6-nitro-3,4-dihydro-1H-1,8-phenanthrolin-2-one
CID 166091414
N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 155103176
1,1-dimethyl-8-nitro-4,5-dihydro-2H-2-benzazepin-3-one
CID 67264026
6-hydroxy-9-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 10560970

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one (CID 13051072) is 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([N+](=O)[O-])cc(O)c2N1.
What is the InChIKey of 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YAKYKFNYTQBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-7-4-6(11(14)15)3-5-1-2-8(13)10-9(5)7/h3-4,12H,1-2H2,(H,10,13).
What are the key properties of 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one?
8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13051072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).