3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone

C14H10N2O4 — CID 19701075

IUPAC3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILESCc1cc(=O)[nH]c2c1C(=O)c1cc(C)c(=O)[nH]c1C2=O
InChIInChI=1S/C14H10N2O4/c1-5-4-8(17)15-11-9(5)12(18)7-3-6(2)14(20)16-10(7)13(11)19/h3-4H,1-2H3,(H,15,17)(H,16,20)
InChIKeyAJDSNTGNSQAAGJ-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.46
Rot. Bonds

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

3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone (PubChem CID 19701075) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone.

Molecular Properties

Compound Name3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
PubChem CID19701075
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILESCc1cc(=O)[nH]c2c1C(=O)c1cc(C)c(=O)[nH]c1C2=O
InChIInChI=1S/C14H10N2O4/c1-5-4-8(17)15-11-9(5)12(18)7-3-6(2)14(20)16-10(7)13(11)19/h3-4H,1-2H3,(H,15,17)(H,16,20)
InChIKeyAJDSNTGNSQAAGJ-UHFFFAOYSA-N
XLogP0.46
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.46
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 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The IUPAC name of 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone (CID 19701075) is 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone.
What is the SMILES notation for 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The canonical SMILES for 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone is Cc1cc(=O)[nH]c2c1C(=O)c1cc(C)c(=O)[nH]c1C2=O.
What is the InChIKey of 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The InChIKey is AJDSNTGNSQAAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-5-4-8(17)15-11-9(5)12(18)7-3-6(2)14(20)16-10(7)13(11)19/h3-4H,1-2H3,(H,15,17)(H,16,20).
What are the key properties of 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone?
3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone has a molecular weight of 270.24 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone is sourced from PubChem (CID 19701075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).