prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate

C15H15NO6 — CID 54732863

IUPACprop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C15H15NO6/c1-4-5-22-15(19)12-13(17)8-6-10(20-2)11(21-3)7-9(8)16-14(12)18/h4,6-7H,1,5H2,2-3H3,(H2,16,17,18)
InChIKeyHNIGIHSYPWOJJQ-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.59
Rot. Bonds5

About prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate

prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54732863) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54732863
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Nameprop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C15H15NO6/c1-4-5-22-15(19)12-13(17)8-6-10(20-2)11(21-3)7-9(8)16-14(12)18/h4,6-7H,1,5H2,2-3H3,(H2,16,17,18)
InChIKeyHNIGIHSYPWOJJQ-UHFFFAOYSA-N
XLogP1.59
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate (CID 54732863) is prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate is C=CCOC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O.
What is the InChIKey of prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is HNIGIHSYPWOJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-4-5-22-15(19)12-13(17)8-6-10(20-2)11(21-3)7-9(8)16-14(12)18/h4,6-7H,1,5H2,2-3H3,(H2,16,17,18).
What are the key properties of prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate?
prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54732863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).