ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate

C20H23NO2 — CID 134352008

IUPACethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)cc2c1NCCC2C
InChIInChI=1S/C20H23NO2/c1-3-23-20(22)18-13-16(11-15-7-5-4-6-8-15)12-17-14(2)9-10-21-19(17)18/h4-8,12-14,21H,3,9-11H2,1-2H3
InChIKeyGQVKUWBWPVDZBS-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.37
Rot. Bonds4

About ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate

ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate (PubChem CID 134352008) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
PubChem CID134352008
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nameethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)cc2c1NCCC2C
InChIInChI=1S/C20H23NO2/c1-3-23-20(22)18-13-16(11-15-7-5-4-6-8-15)12-17-14(2)9-10-21-19(17)18/h4-8,12-14,21H,3,9-11H2,1-2H3
InChIKeyGQVKUWBWPVDZBS-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 167841189
ethyl (4R)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134345130
6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306693
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306731
ethyl 2-cyclobutylbenzoate
CID 106942755
ethyl 2-cyclopropylbenzoate
CID 118105330
6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142306810
diethyl 2,6-dimethyl-4-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3457513
ethyl 5-benzyl-3-(3,3-dimethylbutan-2-yl)-2-(methylamino)benzoate
CID 142306760
6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142307127
2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
CID 134338621

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
The IUPAC name of ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate (CID 134352008) is ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
The canonical SMILES for ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate is CCOC(=O)c1cc(Cc2ccccc2)cc2c1NCCC2C.
What is the InChIKey of ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
The InChIKey is GQVKUWBWPVDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-23-20(22)18-13-16(11-15-7-5-4-6-8-15)12-17-14(2)9-10-21-19(17)18/h4-8,12-14,21H,3,9-11H2,1-2H3.
What are the key properties of ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate?
ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate is sourced from PubChem (CID 134352008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).