cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate

C16H21NO2 — CID 106902751

IUPACcyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESO=C(OC1CCCCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H21NO2/c18-16(19-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)17-11-13/h4-6,9,13-14,17H,1-3,7-8,10-11H2
InChIKeyHRPHOVNCNKDDIY-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.15
Rot. Bonds2

About cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate

cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (PubChem CID 106902751) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
PubChem CID106902751
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namecyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESO=C(OC1CCCCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H21NO2/c18-16(19-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)17-11-13/h4-6,9,13-14,17H,1-3,7-8,10-11H2
InChIKeyHRPHOVNCNKDDIY-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl 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

(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902774
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748
octacosyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 11599455
cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 61279622
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
octan-2-yl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902768
N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901257
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902806
(3-methylcyclohexyl) (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 61301735

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The IUPAC name of cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (CID 106902751) is cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate is O=C(OC1CCCCC1)C1CNc2ccccc2C1.
What is the InChIKey of cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The InChIKey is HRPHOVNCNKDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19-14-7-2-1-3-8-14)13-10-12-6-4-5-9-15(12)17-11-13/h4-6,9,13-14,17H,1-3,7-8,10-11H2.
What are the key properties of cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 106902751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).