ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate

C13H17NO2 — CID 99866901

IUPACethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)[C@H]1CNc2ccc(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/t11-/m1/s1
InChIKeyDBMVQUYPRJIPLJ-LLVKDONJSA-N
MW219.28 g/mol
LogP2.14
Rot. Bonds2

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

ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate (PubChem CID 99866901) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
PubChem CID99866901
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)[C@H]1CNc2ccc(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/t11-/m1/s1
InChIKeyDBMVQUYPRJIPLJ-LLVKDONJSA-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

Analyze ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 58241445
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
ethyl (3S)-8-bromo-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 67755456
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748
7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 83753051
octacosyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 11599455
ethyl 6-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate
CID 82363876
ethyl 7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 118348712
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902806
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 142661958
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate (CID 99866901) is ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate is CCOC(=O)[C@H]1CNc2ccc(C)cc2C1.
What is the InChIKey of ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
The InChIKey is DBMVQUYPRJIPLJ-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate?
ethyl (3R)-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 (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 99866901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).