6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one

C13H19N3O — CID 69347590

IUPAC6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one
SMILESCCN1C(=O)CC(C)(C)c2cc(N)c(N)cc21
InChIInChI=1S/C13H19N3O/c1-4-16-11-6-10(15)9(14)5-8(11)13(2,3)7-12(16)17/h5-6H,4,7,14-15H2,1-3H3
InChIKeyAMODFSSWHRVKQI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds1

About 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one

6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one (PubChem CID 69347590) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one.

Molecular Properties

Compound Name6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one
PubChem CID69347590
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one
SMILESCCN1C(=O)CC(C)(C)c2cc(N)c(N)cc21
InChIInChI=1S/C13H19N3O/c1-4-16-11-6-10(15)9(14)5-8(11)13(2,3)7-12(16)17/h5-6H,4,7,14-15H2,1-3H3
InChIKeyAMODFSSWHRVKQI-UHFFFAOYSA-N
XLogP1.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one?
The IUPAC name of 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one (CID 69347590) is 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one.
What is the SMILES notation for 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one?
The canonical SMILES for 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one is CCN1C(=O)CC(C)(C)c2cc(N)c(N)cc21.
What is the InChIKey of 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one?
The InChIKey is AMODFSSWHRVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-16-11-6-10(15)9(14)5-8(11)13(2,3)7-12(16)17/h5-6H,4,7,14-15H2,1-3H3.
What are the key properties of 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one?
6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diamino-1-ethyl-4,4-dimethyl-3H-quinolin-2-one is sourced from PubChem (CID 69347590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).