8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid

C15H12N2O5 — CID 67830822

IUPAC8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid
SMILESCN(C)c1ccc2c(c1)[nH]c(=O)c1cc(C(=O)O)c(=O)oc12
InChIInChI=1S/C15H12N2O5/c1-17(2)7-3-4-8-11(5-7)16-13(18)9-6-10(14(19)20)15(21)22-12(8)9/h3-6H,1-2H3,(H,16,18)(H,19,20)
InChIKeyYYASMTMUSCOLBY-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.40
Rot. Bonds2

About 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid

8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid (PubChem CID 67830822) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid
PubChem CID67830822
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid
SMILESCN(C)c1ccc2c(c1)[nH]c(=O)c1cc(C(=O)O)c(=O)oc12
InChIInChI=1S/C15H12N2O5/c1-17(2)7-3-4-8-11(5-7)16-13(18)9-6-10(14(19)20)15(21)22-12(8)9/h3-6H,1-2H3,(H,16,18)(H,19,20)
InChIKeyYYASMTMUSCOLBY-UHFFFAOYSA-N
XLogP1.40
TPSA103.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid?
The IUPAC name of 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid (CID 67830822) is 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid?
The canonical SMILES for 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid is CN(C)c1ccc2c(c1)[nH]c(=O)c1cc(C(=O)O)c(=O)oc12.
What is the InChIKey of 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid?
The InChIKey is YYASMTMUSCOLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-17(2)7-3-4-8-11(5-7)16-13(18)9-6-10(14(19)20)15(21)22-12(8)9/h3-6H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid?
8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylic acid is sourced from PubChem (CID 67830822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).