9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid

C15H11NO4 — CID 21451390

IUPAC9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid
SMILESCCc1ccc2ncc3c(=O)cc(C(=O)O)oc3c2c1
InChIInChI=1S/C15H11NO4/c1-2-8-3-4-11-9(5-8)14-10(7-16-11)12(17)6-13(20-14)15(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyRFAFTRAPVXMCGV-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.60
Rot. Bonds2

About 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid

9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid (PubChem CID 21451390) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid
PubChem CID21451390
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid
SMILESCCc1ccc2ncc3c(=O)cc(C(=O)O)oc3c2c1
InChIInChI=1S/C15H11NO4/c1-2-8-3-4-11-9(5-8)14-10(7-16-11)12(17)6-13(20-14)15(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyRFAFTRAPVXMCGV-UHFFFAOYSA-N
XLogP2.60
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethylquinoline-4-carboxylic acid
CID 83527113
3-ethylquinoline-5-carboxylic acid
CID 119085659
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
6-(2-hydroxypropyl)-4-oxochromene-2-carboxylic acid
CID 15127974
6-ethyl-1-methoxyisoquinoline-4-carboxylic acid
CID 84694428
8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
CID 154093779
2-(6-ethylquinazolin-4-yl)sulfanylacetic acid
CID 21002755
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid?
The IUPAC name of 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid (CID 21451390) is 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid.
What is the SMILES notation for 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid?
The canonical SMILES for 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid is CCc1ccc2ncc3c(=O)cc(C(=O)O)oc3c2c1.
What is the InChIKey of 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid?
The InChIKey is RFAFTRAPVXMCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-2-8-3-4-11-9(5-8)14-10(7-16-11)12(17)6-13(20-14)15(18)19/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid?
9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-oxopyrano[3,2-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 21451390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).