2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

C16H23NO3 — CID 106448138

IUPAC2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESCC(C)COCCOC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-9-10-20-16(18)14-5-3-7-15-13(14)6-4-8-17-15/h3,5,7,12,17H,4,6,8-11H2,1-2H3
InChIKeyFKYBWBVFJYGDIH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.87
Rot. Bonds6

About 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate (PubChem CID 106448138) 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-5-carboxylate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
PubChem CID106448138
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESCC(C)COCCOC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-9-10-20-16(18)14-5-3-7-15-13(14)6-4-8-17-15/h3,5,7,12,17H,4,6,8-11H2,1-2H3
InChIKeyFKYBWBVFJYGDIH-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-5-carboxylate
CID 60834864
1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 103489104
oxan-4-ylmethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 62383095
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849738
2-(2-methylpropoxy)ethyl 2-amino-3-bromobenzoate
CID 106448117
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850263
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate
CID 106448067
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
2-(2-methylpropoxy)ethyl 3-chloro-2-nitrobenzoate
CID 106450544

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate (CID 106448138) is 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate is CC(C)COCCOC(=O)c1cccc2c1CCCN2.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The InChIKey is FKYBWBVFJYGDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)11-19-9-10-20-16(18)14-5-3-7-15-13(14)6-4-8-17-15/h3,5,7,12,17H,4,6,8-11H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.87, 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-5-carboxylate is sourced from PubChem (CID 106448138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).