methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate

C13H11NO4 — CID 171572815

IUPACmethyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c3c(c(=O)[nH]c2c1)COC3
InChIInChI=1S/C13H11NO4/c1-17-13(16)7-2-3-8-9-5-18-6-10(9)12(15)14-11(8)4-7/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyDPFSDFMBJMXOGH-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.34
Rot. Bonds1

About methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate

methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate (PubChem CID 171572815) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
PubChem CID171572815
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Namemethyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c3c(c(=O)[nH]c2c1)COC3
InChIInChI=1S/C13H11NO4/c1-17-13(16)7-2-3-8-9-5-18-6-10(9)12(15)14-11(8)4-7/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyDPFSDFMBJMXOGH-UHFFFAOYSA-N
XLogP1.34
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate (CID 171572815) is methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate is COC(=O)c1ccc2c3c(c(=O)[nH]c2c1)COC3.
What is the InChIKey of methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate?
The InChIKey is DPFSDFMBJMXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-13(16)7-2-3-8-9-5-18-6-10(9)12(15)14-11(8)4-7/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate?
methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate has a molecular weight of 245.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate is sourced from PubChem (CID 171572815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).