ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

C13H17NO3 — CID 97036567

IUPACethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)10-8-9-6-4-5-7-11(9)14(2)12(10)15/h8H,3-7H2,1-2H3
InChIKeyDGLWDGXLOURKND-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.44
Rot. Bonds2

About ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 97036567) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID97036567
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)10-8-9-6-4-5-7-11(9)14(2)12(10)15/h8H,3-7H2,1-2H3
InChIKeyDGLWDGXLOURKND-UHFFFAOYSA-N
XLogP1.44
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 1-methyl-8-oxo-4,5,6,7-tetrahydrocyclohepta[b]pyrrole-2-carboxylate
CID 122705237
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 142275684
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367447
ethyl (E)-3-(diethylamino)-3-(1-methyl-4,5,6,7-tetrahydroindol-2-yl)prop-2-enoate
CID 46910690
3-ethoxycarbonyl-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 46741372
ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate
CID 58564131
ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367438

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 97036567) is ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c(n(C)c1=O)CCCC2.
What is the InChIKey of ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is DGLWDGXLOURKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-13(16)10-8-9-6-4-5-7-11(9)14(2)12(10)15/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.44, 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-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 97036567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).