1-(8-nitroquinolin-6-yl)ethanone

C11H8N2O3 — CID 166162234

IUPAC1-(8-nitroquinolin-6-yl)ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])c2ncccc2c1
InChIInChI=1S/C11H8N2O3/c1-7(14)9-5-8-3-2-4-12-11(8)10(6-9)13(15)16/h2-6H,1H3
InChIKeyLRYGLQTWOJRYBU-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.35
Rot. Bonds2

About 1-(8-nitroquinolin-6-yl)ethanone

1-(8-nitroquinolin-6-yl)ethanone (PubChem CID 166162234) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(8-nitroquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-nitroquinolin-6-yl)ethanone
PubChem CID166162234
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name1-(8-nitroquinolin-6-yl)ethanone
SMILESCC(=O)c1cc([N+](=O)[O-])c2ncccc2c1
InChIInChI=1S/C11H8N2O3/c1-7(14)9-5-8-3-2-4-12-11(8)10(6-9)13(15)16/h2-6H,1H3
InChIKeyLRYGLQTWOJRYBU-UHFFFAOYSA-N
XLogP2.35
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.35
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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Related Compounds

6,8-dinitroquinoline
CID 11106850
1-(2-tert-butyl-8-nitroquinolin-6-yl)ethanone
CID 3008481
sodium 4-acetyl-2-nitrophenolate
CID 158587086
1-[4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 9112318
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
6-methyl-7-nitroquinolin-8-ol
CID 166150155
dichloropalladium;5-nitro-1,10-phenanthroline
CID 5030888
4-methyl-3-nitro-N-(quinolin-8-ylmethylsulfonyl)benzamide
CID 71906102
7-nitroquinolin-8-amine
CID 12663942
1-[3-fluoro-4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 26447870
3-chlorobenzoic acid;7-nitroquinolin-8-ol
CID 23620172

Frequently Asked Questions

What is the IUPAC name of 1-(8-nitroquinolin-6-yl)ethanone?
The IUPAC name of 1-(8-nitroquinolin-6-yl)ethanone (CID 166162234) is 1-(8-nitroquinolin-6-yl)ethanone.
What is the SMILES notation for 1-(8-nitroquinolin-6-yl)ethanone?
The canonical SMILES for 1-(8-nitroquinolin-6-yl)ethanone is CC(=O)c1cc([N+](=O)[O-])c2ncccc2c1.
What is the InChIKey of 1-(8-nitroquinolin-6-yl)ethanone?
The InChIKey is LRYGLQTWOJRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c1-7(14)9-5-8-3-2-4-12-11(8)10(6-9)13(15)16/h2-6H,1H3.
What are the key properties of 1-(8-nitroquinolin-6-yl)ethanone?
1-(8-nitroquinolin-6-yl)ethanone has a molecular weight of 216.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-nitroquinolin-6-yl)ethanone is sourced from PubChem (CID 166162234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).