methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate

C15H12N2O3 — CID 71495071

IUPACmethyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc[nH]2)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H12N2O3/c1-20-15(19)12-13(11-7-4-8-16-11)17-10-6-3-2-5-9(10)14(12)18/h2-8,16H,1H3,(H,17,18)
InChIKeyJLCJALWTWUFLMZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.31
Rot. Bonds2

About methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate

methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate (PubChem CID 71495071) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate
PubChem CID71495071
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namemethyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc[nH]2)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H12N2O3/c1-20-15(19)12-13(11-7-4-8-16-11)17-10-6-3-2-5-9(10)14(12)18/h2-8,16H,1H3,(H,17,18)
InChIKeyJLCJALWTWUFLMZ-UHFFFAOYSA-N
XLogP2.31
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate (CID 71495071) is methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate is COC(=O)c1c(-c2ccc[nH]2)[nH]c2ccccc2c1=O.
What is the InChIKey of methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate?
The InChIKey is JLCJALWTWUFLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-15(19)12-13(11-7-4-8-16-11)17-10-6-3-2-5-9(10)14(12)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate?
methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2-(1H-pyrrol-2-yl)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71495071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).