2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate

C16H21NO2 — CID 106203130

IUPAC2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILESO=C(OCCC1CCC1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H21NO2/c18-16(19-10-8-12-3-1-4-12)14-6-7-15-13(11-14)5-2-9-17-15/h6-7,11-12,17H,1-5,8-10H2
InChIKeyDRDOEAGVAMCYPT-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.39
Rot. Bonds4

About 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate

2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate (PubChem CID 106203130) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
PubChem CID106203130
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILESO=C(OCCC1CCC1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H21NO2/c18-16(19-10-8-12-3-1-4-12)14-6-7-15-13(11-14)5-2-9-17-15/h6-7,11-12,17H,1-5,8-10H2
InChIKeyDRDOEAGVAMCYPT-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
2-cyclobutylethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 106202952
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2-cyclobutylethyl 3-amino-4-chlorobenzoate
CID 106202993
2-cyclobutylethyl 4-amino-3-methylbenzoate
CID 106203085
2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate
CID 103178589
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60946268
2-cyclohexylethyl 4-aminobenzoate
CID 114192361
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
CID 113382406
3-cyclopentyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 62632415

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
The IUPAC name of 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate (CID 106203130) is 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate is O=C(OCCC1CCC1)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
The InChIKey is DRDOEAGVAMCYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19-10-8-12-3-1-4-12)14-6-7-15-13(11-14)5-2-9-17-15/h6-7,11-12,17H,1-5,8-10H2.
What are the key properties of 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate is sourced from PubChem (CID 106203130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).