5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid

C16H10N2O8 — CID 21392539

IUPAC5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid
SMILESCc1c2c(=O)cc(C(=O)O)[nH]c2c(C(=O)O)c2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C16H10N2O8/c1-4-9-7(19)2-5(14(21)22)17-12(9)11(16(25)26)13-10(4)8(20)3-6(18-13)15(23)24/h2-3H,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyYNNVQSNMGOYHEU-UHFFFAOYSA-N
MW358.26 g/mol
LogP0.77
Rot. Bonds3

About 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid

5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid (PubChem CID 21392539) has the molecular formula C16H10N2O8 and a molecular weight of 358.26 g/mol. Its IUPAC name is 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid.

Molecular Properties

Compound Name5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid
PubChem CID21392539
Molecular FormulaC16H10N2O8
Molecular Weight358.26 g/mol
Exact Mass358.04
IUPAC Name5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid
SMILESCc1c2c(=O)cc(C(=O)O)[nH]c2c(C(=O)O)c2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C16H10N2O8/c1-4-9-7(19)2-5(14(21)22)17-12(9)11(16(25)26)13-10(4)8(20)3-6(18-13)15(23)24/h2-3H,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyYNNVQSNMGOYHEU-UHFFFAOYSA-N
XLogP0.77
TPSA177.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 50.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid?
The IUPAC name of 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid (CID 21392539) is 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid.
What is the SMILES notation for 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid?
The canonical SMILES for 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid is Cc1c2c(=O)cc(C(=O)O)[nH]c2c(C(=O)O)c2[nH]c(C(=O)O)cc(=O)c12.
What is the InChIKey of 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid?
The InChIKey is YNNVQSNMGOYHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O8/c1-4-9-7(19)2-5(14(21)22)17-12(9)11(16(25)26)13-10(4)8(20)3-6(18-13)15(23)24/h2-3H,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid?
5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid has a molecular weight of 358.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid is sourced from PubChem (CID 21392539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).