6-nitro-6H-quinolin-2-one

C9H6N2O3 — CID 76845642

IUPAC6-nitro-6H-quinolin-2-one
SMILESO=C1C=CC2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C9H6N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h1-5,7H
InChIKeyJWKNXAWNRIUZGI-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.67
Rot. Bonds1

About 6-nitro-6H-quinolin-2-one

6-nitro-6H-quinolin-2-one (PubChem CID 76845642) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-nitro-6H-quinolin-2-one.

Molecular Properties

Compound Name6-nitro-6H-quinolin-2-one
PubChem CID76845642
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name6-nitro-6H-quinolin-2-one
SMILESO=C1C=CC2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C9H6N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h1-5,7H
InChIKeyJWKNXAWNRIUZGI-UHFFFAOYSA-N
XLogP0.67
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73240359
6-Nitro-1-benzazepin-2-one
CID 19919690
4-chloro-3-nitro-3H-quinolin-2-one
CID 90811077
(2-nitro-2H-quinolin-3-ylidene)methanone
CID 140973032
3-nitro-3H-quinolin-2-one
CID 45025452
6-nitro-6H-quinazolin-4-one
CID 71303991
7-nitro-4aH-quinoxalin-2-one
CID 72743401
7-nitro-4aH-quinolin-2-one
CID 74029554
3-methyl-5-nitro-5H-isoquinolin-1-one
CID 75965952
4-chloro-6-nitro-6H-quinolin-2-one
CID 76845380
5-nitro-4aH-quinolin-2-one
CID 76845513
8-nitro-4aH-quinolin-2-one
CID 76845727

Frequently Asked Questions

What is the IUPAC name of 6-nitro-6H-quinolin-2-one?
The IUPAC name of 6-nitro-6H-quinolin-2-one (CID 76845642) is 6-nitro-6H-quinolin-2-one.
What is the SMILES notation for 6-nitro-6H-quinolin-2-one?
The canonical SMILES for 6-nitro-6H-quinolin-2-one is O=C1C=CC2=CC([N+](=O)[O-])C=CC2=N1.
What is the InChIKey of 6-nitro-6H-quinolin-2-one?
The InChIKey is JWKNXAWNRIUZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h1-5,7H.
What are the key properties of 6-nitro-6H-quinolin-2-one?
6-nitro-6H-quinolin-2-one has a molecular weight of 190.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-6H-quinolin-2-one is sourced from PubChem (CID 76845642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).