7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione

C15H14N2O4 — CID 19701081

IUPAC7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione
SMILESCCC1=C[NH+]([O-])C2C(=O)c3[nH]c(=O)cc(C)c3C(=O)C2=C1
InChIInChI=1S/C15H14N2O4/c1-3-8-5-9-13(17(21)6-8)15(20)12-11(14(9)19)7(2)4-10(18)16-12/h4-6,13,17H,3H2,1-2H3,(H,16,18)
InChIKeyZDKFJUYUSNGOMZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.05
Rot. Bonds1

About 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione

7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione (PubChem CID 19701081) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione.

Molecular Properties

Compound Name7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione
PubChem CID19701081
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione
SMILESCCC1=C[NH+]([O-])C2C(=O)c3[nH]c(=O)cc(C)c3C(=O)C2=C1
InChIInChI=1S/C15H14N2O4/c1-3-8-5-9-13(17(21)6-8)15(20)12-11(14(9)19)7(2)4-10(18)16-12/h4-6,13,17H,3H2,1-2H3,(H,16,18)
InChIKeyZDKFJUYUSNGOMZ-UHFFFAOYSA-N
XLogP0.05
TPSA94.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione?
The IUPAC name of 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione (CID 19701081) is 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione.
What is the SMILES notation for 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione?
The canonical SMILES for 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione is CCC1=C[NH+]([O-])C2C(=O)c3[nH]c(=O)cc(C)c3C(=O)C2=C1.
What is the InChIKey of 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione?
The InChIKey is ZDKFJUYUSNGOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-8-5-9-13(17(21)6-8)15(20)12-11(14(9)19)7(2)4-10(18)16-12/h4-6,13,17H,3H2,1-2H3,(H,16,18).
What are the key properties of 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione?
7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione has a molecular weight of 286.29 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione is sourced from PubChem (CID 19701081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).