4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one

C15H20N4O3 — CID 2919017

IUPAC4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(NCCN(C)C)c2ccccc21
InChIInChI=1S/C15H20N4O3/c1-4-18-12-8-6-5-7-11(12)13(16-9-10-17(2)3)14(15(18)20)19(21)22/h5-8,16H,4,9-10H2,1-3H3
InChIKeyBKHWMKPSGUKEPI-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.90
Rot. Bonds6

About 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one

4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one (PubChem CID 2919017) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one
PubChem CID2919017
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(NCCN(C)C)c2ccccc21
InChIInChI=1S/C15H20N4O3/c1-4-18-12-8-6-5-7-11(12)13(16-9-10-17(2)3)14(15(18)20)19(21)22/h5-8,16H,4,9-10H2,1-3H3
InChIKeyBKHWMKPSGUKEPI-UHFFFAOYSA-N
XLogP1.90
TPSA80.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one (CID 2919017) is 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one is CCn1c(=O)c([N+](=O)[O-])c(NCCN(C)C)c2ccccc21.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one?
The InChIKey is BKHWMKPSGUKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-18-12-8-6-5-7-11(12)13(16-9-10-17(2)3)14(15(18)20)19(21)22/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one?
4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one has a molecular weight of 304.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-1-ethyl-3-nitroquinolin-2-one is sourced from PubChem (CID 2919017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).