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

C11H10N2O4 — CID 121221418

IUPAC4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)C1CC(=O)Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H10N2O4/c1-6(14)8-5-11(15)12-10-3-2-7(13(16)17)4-9(8)10/h2-4,8H,5H2,1H3,(H,12,15)
InChIKeyFNAIHEGJOFSVTG-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.61
Rot. Bonds2

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

4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 121221418) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID121221418
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)C1CC(=O)Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H10N2O4/c1-6(14)8-5-11(15)12-10-3-2-7(13(16)17)4-9(8)10/h2-4,8H,5H2,1H3,(H,12,15)
InChIKeyFNAIHEGJOFSVTG-UHFFFAOYSA-N
XLogP1.61
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
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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Related Compounds

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N-ethyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
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CID 7303177
1-[4-(2-chloro-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 102324236
methyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17067536
methyl 6-methyl-4-[(2-methyl-5-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17354869
(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 129411077
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one (CID 121221418) is 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one is CC(=O)C1CC(=O)Nc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FNAIHEGJOFSVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6(14)8-5-11(15)12-10-3-2-7(13(16)17)4-9(8)10/h2-4,8H,5H2,1H3,(H,12,15).
What are the key properties of 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one?
4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 234.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 121221418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).