ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate

C15H11NO6 — CID 10685671

IUPACethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(ccc3cc(=O)c(=O)oc32)c1O
InChIInChI=1S/C15H11NO6/c1-2-21-14(19)9-6-16-11-8(12(9)18)4-3-7-5-10(17)15(20)22-13(7)11/h3-6,16,18H,2H2,1H3
InChIKeyHJAPCOQDMFTYHK-UHFFFAOYSA-N
MW301.25 g/mol
LogP1.52
Rot. Bonds2

About ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate

ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate (PubChem CID 10685671) has the molecular formula C15H11NO6 and a molecular weight of 301.25 g/mol. Its IUPAC name is ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate
PubChem CID10685671
Molecular FormulaC15H11NO6
Molecular Weight301.25 g/mol
Exact Mass301.06
IUPAC Nameethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(ccc3cc(=O)c(=O)oc32)c1O
InChIInChI=1S/C15H11NO6/c1-2-21-14(19)9-6-16-11-8(12(9)18)4-3-7-5-10(17)15(20)22-13(7)11/h3-6,16,18H,2H2,1H3
InChIKeyHJAPCOQDMFTYHK-UHFFFAOYSA-N
XLogP1.52
TPSA109.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 15675226
diethyl 8,9-dimethyl-2-oxopyrano[2,3-e]isoindole-3,7-dicarboxylate
CID 44582525
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922
ethyl 8-bromo-2-oxochromene-3-carboxylate
CID 118281896
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
ethyl 7,8-dihydroxy-2-oxochromene-3-carboxylate;ethyl 2-oxo-7,8-dipropoxychromene-3-carboxylate;propan-1-ol
CID 158548506
ethyl 4-hydroxy-1H-indole-3-carboxylate
CID 13186947
ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59242632
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562
ethyl 3-oxobenzo[f]chromene-1-carboxylate
CID 11161494
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate?
The IUPAC name of ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate (CID 10685671) is ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate is CCOC(=O)c1c[nH]c2c(ccc3cc(=O)c(=O)oc32)c1O.
What is the InChIKey of ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate?
The InChIKey is HJAPCOQDMFTYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO6/c1-2-21-14(19)9-6-16-11-8(12(9)18)4-3-7-5-10(17)15(20)22-13(7)11/h3-6,16,18H,2H2,1H3.
What are the key properties of ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate?
ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate has a molecular weight of 301.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-2,3-dioxo-10H-pyrano[3,2-h]quinoline-8-carboxylate is sourced from PubChem (CID 10685671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).