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

C13H17NO2 — CID 106902748

IUPACpropyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCCCOC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-2-7-16-13(15)11-8-10-5-3-4-6-12(10)14-9-11/h3-6,11,14H,2,7-9H2,1H3
InChIKeyKYFYTCZRUBFSPY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.22
Rot. Bonds3

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

propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (PubChem CID 106902748) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namepropyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
PubChem CID106902748
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepropyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
SMILESCCCOC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-2-7-16-13(15)11-8-10-5-3-4-6-12(10)14-9-11/h3-6,11,14H,2,7-9H2,1H3
InChIKeyKYFYTCZRUBFSPY-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

octacosyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 11599455
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902806
octan-2-yl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902768
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 99866901
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 58241445
(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902774
decyl 2,3-dihydro-1H-indene-2-carboxylate
CID 122577594
ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 19697803

Frequently Asked Questions

What is the IUPAC name of propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The IUPAC name of propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate (CID 106902748) is propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate is CCCOC(=O)C1CNc2ccccc2C1.
What is the InChIKey of propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
The InChIKey is KYFYTCZRUBFSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-7-16-13(15)11-8-10-5-3-4-6-12(10)14-9-11/h3-6,11,14H,2,7-9H2,1H3.
What are the key properties of propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate?
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.22, 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-3-carboxylate is sourced from PubChem (CID 106902748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).