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

C15H21NO2 — CID 116532881

IUPACethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1CC)C(C)CCC2
InChIInChI=1S/C15H21NO2/c1-4-13-12(15(17)18-5-2)9-11-8-6-7-10(3)14(11)16-13/h9-10H,4-8H2,1-3H3
InChIKeyQLBZUWYCGYAKTL-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.26
Rot. Bonds3

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

ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 116532881) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID116532881
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(nc1CC)C(C)CCC2
InChIInChI=1S/C15H21NO2/c1-4-13-12(15(17)18-5-2)9-11-8-6-7-10(3)14(11)16-13/h9-10H,4-8H2,1-3H3
InChIKeyQLBZUWYCGYAKTL-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
ethyl 8-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116533367
ethyl 2-methyl-9-(nitrooxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 21186665
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 2-ethyl-7-fluoro-5H-indeno[1,2-b]pyridine-3-carboxylate
CID 116532889
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
CID 62785717
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 116532881) is ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c(nc1CC)C(C)CCC2.
What is the InChIKey of ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is QLBZUWYCGYAKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-13-12(15(17)18-5-2)9-11-8-6-7-10(3)14(11)16-13/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 116532881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).