1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one

C13H16N2O4 — CID 126505110

IUPAC1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one
SMILESCCOC(C)N1C(=O)CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H16N2O4/c1-3-19-9(2)14-12-6-5-11(15(17)18)8-10(12)4-7-13(14)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyADAVMXOIQGQWEL-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.26
Rot. Bonds4

About 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one

1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one (PubChem CID 126505110) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one
PubChem CID126505110
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one
SMILESCCOC(C)N1C(=O)CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H16N2O4/c1-3-19-9(2)14-12-6-5-11(15(17)18)8-10(12)4-7-13(14)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyADAVMXOIQGQWEL-UHFFFAOYSA-N
XLogP2.26
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.26
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-nitro-1-(1-phenylpropyl)-3,4-dihydroquinolin-2-one
CID 170748239
6-nitro-1-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-2-one
CID 170748345
1-[2-(bromomethyl)-3-methylbutyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65011642
6-nitro-1-[3-(propylamino)propyl]-3,4-dihydroquinolin-2-one
CID 61387942
methyl-[2-(6-nitro-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]carbamic acid
CID 123878031
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 65007670
7-nitro-1-(2-oxobutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 62039969
1-[2-(bromomethyl)-4-nitrophenyl]pyrrolidine-2,5-dione
CID 129185501
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
1-[2-(ethylamino)ethyl]-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388078
1-[3-(2-hydroxyethylamino)propyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 57343560

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one (CID 126505110) is 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one is CCOC(C)N1C(=O)CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one?
The InChIKey is ADAVMXOIQGQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-19-9(2)14-12-6-5-11(15(17)18)8-10(12)4-7-13(14)16/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one?
1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-6-nitro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 126505110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).