2-nitro-5H-quinolin-6-one

C9H6N2O3 — CID 175609355

IUPAC2-nitro-5H-quinolin-6-one
SMILESO=C1C=Cc2nc([N+](=O)[O-])ccc2C1
InChIInChI=1S/C9H6N2O3/c12-7-2-3-8-6(5-7)1-4-9(10-8)11(13)14/h1-4H,5H2
InChIKeyNCMKJQRNXRVWJX-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.13
Rot. Bonds1

About 2-nitro-5H-quinolin-6-one

2-nitro-5H-quinolin-6-one (PubChem CID 175609355) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-nitro-5H-quinolin-6-one.

Molecular Properties

Compound Name2-nitro-5H-quinolin-6-one
PubChem CID175609355
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name2-nitro-5H-quinolin-6-one
SMILESO=C1C=Cc2nc([N+](=O)[O-])ccc2C1
InChIInChI=1S/C9H6N2O3/c12-7-2-3-8-6(5-7)1-4-9(10-8)11(13)14/h1-4H,5H2
InChIKeyNCMKJQRNXRVWJX-UHFFFAOYSA-N
XLogP1.13
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-nitro-5H-quinolin-6-one?
The IUPAC name of 2-nitro-5H-quinolin-6-one (CID 175609355) is 2-nitro-5H-quinolin-6-one.
What is the SMILES notation for 2-nitro-5H-quinolin-6-one?
The canonical SMILES for 2-nitro-5H-quinolin-6-one is O=C1C=Cc2nc([N+](=O)[O-])ccc2C1.
What is the InChIKey of 2-nitro-5H-quinolin-6-one?
The InChIKey is NCMKJQRNXRVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-7-2-3-8-6(5-7)1-4-9(10-8)11(13)14/h1-4H,5H2.
What are the key properties of 2-nitro-5H-quinolin-6-one?
2-nitro-5H-quinolin-6-one has a molecular weight of 190.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5H-quinolin-6-one is sourced from PubChem (CID 175609355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).