5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid

C15H9NO8 — CID 13455101

IUPAC5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid
SMILESCOc1cc2c(=O)cc(C(=O)O)[nH]c2c2oc(C(=O)O)cc(=O)c12
InChIInChI=1S/C15H9NO8/c1-23-9-2-5-7(17)3-6(14(19)20)16-12(5)13-11(9)8(18)4-10(24-13)15(21)22/h2-4H,1H3,(H,16,17)(H,19,20)(H,21,22)
InChIKeyXVWUGFWCTRLQBS-UHFFFAOYSA-N
MW331.24 g/mol
LogP1.04
Rot. Bonds3

About 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid

5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid (PubChem CID 13455101) has the molecular formula C15H9NO8 and a molecular weight of 331.24 g/mol. Its IUPAC name is 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid.

Molecular Properties

Compound Name5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid
PubChem CID13455101
Molecular FormulaC15H9NO8
Molecular Weight331.24 g/mol
Exact Mass331.03
IUPAC Name5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid
SMILESCOc1cc2c(=O)cc(C(=O)O)[nH]c2c2oc(C(=O)O)cc(=O)c12
InChIInChI=1S/C15H9NO8/c1-23-9-2-5-7(17)3-6(14(19)20)16-12(5)13-11(9)8(18)4-10(24-13)15(21)22/h2-4H,1H3,(H,16,17)(H,19,20)(H,21,22)
InChIKeyXVWUGFWCTRLQBS-UHFFFAOYSA-N
XLogP1.04
TPSA146.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724106
8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
CID 847725
8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
CID 154093779
5,8-dimethoxy-4-oxochromene-2-carboxylate
CID 6928203
6-[5-(2-carboxy-7-methoxy-4-oxochromen-6-yl)oxypentoxy]-7-methoxy-4-oxochromene-2-carboxylic acid;dihydrate
CID 162076877
5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid
CID 21392539
methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
CID 53419693
6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
6-methoxy-4-methyl-7-propan-2-yl-1H-indole-2-carboxylic acid
CID 3998305
7-acetyl-4-methoxy-1H-indole-2-carboxylic acid
CID 12908193
4-oxo-5H-pyrano[3,2-b]indole-2-carboxylic acid
CID 10443783
5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid?
The IUPAC name of 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid (CID 13455101) is 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid.
What is the SMILES notation for 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid?
The canonical SMILES for 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid is COc1cc2c(=O)cc(C(=O)O)[nH]c2c2oc(C(=O)O)cc(=O)c12.
What is the InChIKey of 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid?
The InChIKey is XVWUGFWCTRLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO8/c1-23-9-2-5-7(17)3-6(14(19)20)16-12(5)13-11(9)8(18)4-10(24-13)15(21)22/h2-4H,1H3,(H,16,17)(H,19,20)(H,21,22).
What are the key properties of 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid?
5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid has a molecular weight of 331.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid is sourced from PubChem (CID 13455101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).