1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate

C15H21NO3 — CID 103489104

IUPAC1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESCCOCC(C)OC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H21NO3/c1-3-18-10-11(2)19-15(17)13-6-4-8-14-12(13)7-5-9-16-14/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3
InChIKeyWJHYPQIJEMUZBX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds5

About 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate

1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate (PubChem CID 103489104) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
PubChem CID103489104
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESCCOCC(C)OC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H21NO3/c1-3-18-10-11(2)19-15(17)13-6-4-8-14-12(13)7-5-9-16-14/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3
InChIKeyWJHYPQIJEMUZBX-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 106448138
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 60834864
1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
CID 103489060
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
1-ethoxypropan-2-yl 2-sulfanylbenzoate
CID 107019199
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850263
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849365
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
1-ethoxypropan-2-yl 2-fluoro-3-(trifluoromethyl)benzoate
CID 103490942

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate (CID 103489104) is 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate is CCOCC(C)OC(=O)c1cccc2c1CCCN2.
What is the InChIKey of 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The InChIKey is WJHYPQIJEMUZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-10-11(2)19-15(17)13-6-4-8-14-12(13)7-5-9-16-14/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate is sourced from PubChem (CID 103489104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).