1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone

C16H14N2O4 — CID 10469958

IUPAC1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILESCc1cc(=O)n(C)c2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O
InChIInChI=1S/C16H14N2O4/c1-7-5-9(19)17(3)13-11(7)15(21)12-8(2)6-10(20)18(4)14(12)16(13)22/h5-6H,1-4H3
InChIKeyFUHFHTKNERQJIU-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.48
Rot. Bonds

About 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone

1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone (PubChem CID 10469958) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone.

Molecular Properties

Compound Name1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone
PubChem CID10469958
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILESCc1cc(=O)n(C)c2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O
InChIInChI=1S/C16H14N2O4/c1-7-5-9(19)17(3)13-11(7)15(21)12-8(2)6-10(20)18(4)14(12)16(13)22/h5-6H,1-4H3
InChIKeyFUHFHTKNERQJIU-UHFFFAOYSA-N
XLogP0.48
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The IUPAC name of 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone (CID 10469958) is 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone.
What is the SMILES notation for 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The canonical SMILES for 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone is Cc1cc(=O)n(C)c2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O.
What is the InChIKey of 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The InChIKey is FUHFHTKNERQJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-7-5-9(19)17(3)13-11(7)15(21)12-8(2)6-10(20)18(4)14(12)16(13)22/h5-6H,1-4H3.
What are the key properties of 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone?
1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone has a molecular weight of 298.30 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,5,8,10-tetrone is sourced from PubChem (CID 10469958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).