6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione

C16H16N2O3 — CID 15259601

IUPAC6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione
SMILESCCC1C(C)=CNC2=C1C(=O)c1c(C)cc(=O)[nH]c1C2=O
InChIInChI=1S/C16H16N2O3/c1-4-9-8(3)6-17-13-12(9)15(20)11-7(2)5-10(19)18-14(11)16(13)21/h5-6,9,17H,4H2,1-3H3,(H,18,19)
InChIKeyGVKQWAZQCVSWMY-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.85
Rot. Bonds1

About 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione

6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione (PubChem CID 15259601) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione.

Molecular Properties

Compound Name6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione
PubChem CID15259601
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione
SMILESCCC1C(C)=CNC2=C1C(=O)c1c(C)cc(=O)[nH]c1C2=O
InChIInChI=1S/C16H16N2O3/c1-4-9-8(3)6-17-13-12(9)15(20)11-7(2)5-10(19)18-14(11)16(13)21/h5-6,9,17H,4H2,1-3H3,(H,18,19)
InChIKeyGVKQWAZQCVSWMY-UHFFFAOYSA-N
XLogP1.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione?
The IUPAC name of 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione (CID 15259601) is 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione.
What is the SMILES notation for 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione?
The canonical SMILES for 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione is CCC1C(C)=CNC2=C1C(=O)c1c(C)cc(=O)[nH]c1C2=O.
What is the InChIKey of 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione?
The InChIKey is GVKQWAZQCVSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-4-9-8(3)6-17-13-12(9)15(20)11-7(2)5-10(19)18-14(11)16(13)21/h5-6,9,17H,4H2,1-3H3,(H,18,19).
What are the key properties of 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione?
6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione has a molecular weight of 284.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione is sourced from PubChem (CID 15259601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).