4-methyl-6-nitro-3H-quinolin-2-one

C10H8N2O3 — CID 1224685

IUPAC4-methyl-6-nitro-3H-quinolin-2-one
SMILESCC1=c2cc([N+](=O)[O-])ccc2=NC(=O)C1
InChIInChI=1S/C10H8N2O3/c1-6-4-10(13)11-9-3-2-7(12(14)15)5-8(6)9/h2-3,5H,4H2,1H3
InChIKeyMHRSJZNOWWZFQI-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.32
Rot. Bonds1

About 4-methyl-6-nitro-3H-quinolin-2-one

4-methyl-6-nitro-3H-quinolin-2-one (PubChem CID 1224685) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-methyl-6-nitro-3H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-6-nitro-3H-quinolin-2-one
PubChem CID1224685
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name4-methyl-6-nitro-3H-quinolin-2-one
SMILESCC1=c2cc([N+](=O)[O-])ccc2=NC(=O)C1
InChIInChI=1S/C10H8N2O3/c1-6-4-10(13)11-9-3-2-7(12(14)15)5-8(6)9/h2-3,5H,4H2,1H3
InChIKeyMHRSJZNOWWZFQI-UHFFFAOYSA-N
XLogP0.32
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-nitro-3H-quinolin-2-one?
The IUPAC name of 4-methyl-6-nitro-3H-quinolin-2-one (CID 1224685) is 4-methyl-6-nitro-3H-quinolin-2-one.
What is the SMILES notation for 4-methyl-6-nitro-3H-quinolin-2-one?
The canonical SMILES for 4-methyl-6-nitro-3H-quinolin-2-one is CC1=c2cc([N+](=O)[O-])ccc2=NC(=O)C1.
What is the InChIKey of 4-methyl-6-nitro-3H-quinolin-2-one?
The InChIKey is MHRSJZNOWWZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-4-10(13)11-9-3-2-7(12(14)15)5-8(6)9/h2-3,5H,4H2,1H3.
What are the key properties of 4-methyl-6-nitro-3H-quinolin-2-one?
4-methyl-6-nitro-3H-quinolin-2-one has a molecular weight of 204.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-nitro-3H-quinolin-2-one is sourced from PubChem (CID 1224685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).