methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate

C13H13NO3 — CID 126753254

IUPACmethyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
SMILESCCc1cc(=O)c2ccc(C(=O)OC)cc2[nH]1
InChIInChI=1S/C13H13NO3/c1-3-9-7-12(15)10-5-4-8(13(16)17-2)6-11(10)14-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyMYEDOACDIBPDCY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.88
Rot. Bonds2

About methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate

methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate (PubChem CID 126753254) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
PubChem CID126753254
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namemethyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
SMILESCCc1cc(=O)c2ccc(C(=O)OC)cc2[nH]1
InChIInChI=1S/C13H13NO3/c1-3-9-7-12(15)10-5-4-8(13(16)17-2)6-11(10)14-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyMYEDOACDIBPDCY-UHFFFAOYSA-N
XLogP1.88
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
CID 171572815
methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate
CID 142924548
ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
CID 155209422
methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
CID 50942143
methyl 3-(3-ethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 46289075
2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetic acid
CID 27440469
7-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 103996038
methyl 2-(chloromethyl)-3-formyl-1H-indole-6-carboxylate
CID 175639857
methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate
CID 22627278
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate?
The IUPAC name of methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate (CID 126753254) is methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate is CCc1cc(=O)c2ccc(C(=O)OC)cc2[nH]1.
What is the InChIKey of methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate?
The InChIKey is MYEDOACDIBPDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-9-7-12(15)10-5-4-8(13(16)17-2)6-11(10)14-9/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate?
methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate is sourced from PubChem (CID 126753254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).