2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate

C16H23NO3 — CID 106902806

IUPAC2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCC(C)COCCOC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-7-8-20-16(18)14-9-13-5-3-4-6-15(13)17-10-14/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyOZNBFPMTLUAUCE-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.49
Rot. Bonds6

About 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate

2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (PubChem CID 106902806) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
PubChem CID106902806
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCC(C)COCCOC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-7-8-20-16(18)14-9-13-5-3-4-6-15(13)17-10-14/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyOZNBFPMTLUAUCE-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
octacosyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 11599455
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 106448104
octan-2-yl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902768
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-cyclopropyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901286
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902774
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106160965
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (CID 106902806) is 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate is CC(C)COCCOC(=O)C1CNc2ccccc2C1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The InChIKey is OZNBFPMTLUAUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)11-19-7-8-20-16(18)14-9-13-5-3-4-6-15(13)17-10-14/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 106902806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).