ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate

C13H17NO2 — CID 58241445

IUPACethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)C1CNc2ccc(C)cc2C1
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)11-7-10-6-9(2)4-5-12(10)14-8-11/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyDBMVQUYPRJIPLJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.14
Rot. Bonds2

About ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate

ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate (PubChem CID 58241445) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
PubChem CID58241445
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)C1CNc2ccc(C)cc2C1
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)11-7-10-6-9(2)4-5-12(10)14-8-11/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyDBMVQUYPRJIPLJ-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate (CID 58241445) is ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate is CCOC(=O)C1CNc2ccc(C)cc2C1.
What is the InChIKey of ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The InChIKey is DBMVQUYPRJIPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-13(15)11-7-10-6-9(2)4-5-12(10)14-8-11/h4-6,11,14H,3,7-8H2,1-2H3.
What are the key properties of ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 58241445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).