4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one

C15H19N3O3 — CID 3836253

IUPAC4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one
SMILESCCN(CC)c1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-4-16(5-2)13-11-9-7-8-10-12(11)17(6-3)15(19)14(13)18(20)21/h7-10H,4-6H2,1-3H3
InChIKeyLRLQGFXPIFCYPT-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.78
Rot. Bonds5

About 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one

4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one (PubChem CID 3836253) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one
PubChem CID3836253
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one
SMILESCCN(CC)c1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-4-16(5-2)13-11-9-7-8-10-12(11)17(6-3)15(19)14(13)18(20)21/h7-10H,4-6H2,1-3H3
InChIKeyLRLQGFXPIFCYPT-UHFFFAOYSA-N
XLogP2.78
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(diethylamino)-1-ethyl-3-nitroquinolin-2-one?
The IUPAC name of 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one (CID 3836253) is 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one.
What is the SMILES notation for 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one?
The canonical SMILES for 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one is CCN(CC)c1c([N+](=O)[O-])c(=O)n(CC)c2ccccc12.
What is the InChIKey of 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one?
The InChIKey is LRLQGFXPIFCYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-16(5-2)13-11-9-7-8-10-12(11)17(6-3)15(19)14(13)18(20)21/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one?
4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-ethyl-3-nitroquinolin-2-one is sourced from PubChem (CID 3836253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).