propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

C13H17NO2 — CID 60834864

IUPACpropyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESCCCOC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H17NO2/c1-2-9-16-13(15)11-5-3-7-12-10(11)6-4-8-14-12/h3,5,7,14H,2,4,6,8-9H2,1H3
InChIKeyPGDMWQCPGZMBPH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds3

About propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate (PubChem CID 60834864) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate.

Molecular Properties

Compound Namepropyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
PubChem CID60834864
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepropyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESCCCOC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H17NO2/c1-2-9-16-13(15)11-5-3-7-12-10(11)6-4-8-14-12/h3,5,7,14H,2,4,6,8-9H2,1H3
InChIKeyPGDMWQCPGZMBPH-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 106448138
oxan-4-ylmethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 62383095
1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 103489104
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 63541879
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N-ethyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126597
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126978
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406

Frequently Asked Questions

What is the IUPAC name of propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The IUPAC name of propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate (CID 60834864) is propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate.
What is the SMILES notation for propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The canonical SMILES for propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate is CCCOC(=O)c1cccc2c1CCCN2.
What is the InChIKey of propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The InChIKey is PGDMWQCPGZMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-9-16-13(15)11-5-3-7-12-10(11)6-4-8-14-12/h3,5,7,14H,2,4,6,8-9H2,1H3.
What are the key properties of propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate is sourced from PubChem (CID 60834864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).