ethyl 1-methyl-2-oxoquinoline-7-carboxylate

C13H13NO3 — CID 121231685

IUPACethyl 1-methyl-2-oxoquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2ccc(=O)n(C)c2c1
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-5-4-9-6-7-12(15)14(2)11(9)8-10/h4-8H,3H2,1-2H3
InChIKeyXUBHECFQZFPYMH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.72
Rot. Bonds2

About ethyl 1-methyl-2-oxoquinoline-7-carboxylate

ethyl 1-methyl-2-oxoquinoline-7-carboxylate (PubChem CID 121231685) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 1-methyl-2-oxoquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-oxoquinoline-7-carboxylate
PubChem CID121231685
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 1-methyl-2-oxoquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2ccc(=O)n(C)c2c1
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-5-4-9-6-7-12(15)14(2)11(9)8-10/h4-8H,3H2,1-2H3
InChIKeyXUBHECFQZFPYMH-UHFFFAOYSA-N
XLogP1.72
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11278480
ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
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ethyl 1,2-dicarbamoylindole-6-carboxylate
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ethyl 6-aminonaphthalene-2-carboxylate
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ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
ethyl (3S,4R)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylate
CID 67235475
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-oxoquinoline-7-carboxylate?
The IUPAC name of ethyl 1-methyl-2-oxoquinoline-7-carboxylate (CID 121231685) is ethyl 1-methyl-2-oxoquinoline-7-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-oxoquinoline-7-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-oxoquinoline-7-carboxylate is CCOC(=O)c1ccc2ccc(=O)n(C)c2c1.
What is the InChIKey of ethyl 1-methyl-2-oxoquinoline-7-carboxylate?
The InChIKey is XUBHECFQZFPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-13(16)10-5-4-9-6-7-12(15)14(2)11(9)8-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-2-oxoquinoline-7-carboxylate?
ethyl 1-methyl-2-oxoquinoline-7-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2-oxoquinoline-7-carboxylate is sourced from PubChem (CID 121231685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).