1,2,3,4-tetrahydroquinolin-6-yl hexanoate

C15H21NO2 — CID 23036154

IUPAC1,2,3,4-tetrahydroquinolin-6-yl hexanoate
SMILESCCCCCC(=O)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H21NO2/c1-2-3-4-7-15(17)18-13-8-9-14-12(11-13)6-5-10-16-14/h8-9,11,16H,2-7,10H2,1H3
InChIKeyCMQDBCGZTGLGTR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.53
Rot. Bonds5

About 1,2,3,4-tetrahydroquinolin-6-yl hexanoate

1,2,3,4-tetrahydroquinolin-6-yl hexanoate (PubChem CID 23036154) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-6-yl hexanoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-6-yl hexanoate
PubChem CID23036154
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1,2,3,4-tetrahydroquinolin-6-yl hexanoate
SMILESCCCCCC(=O)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H21NO2/c1-2-3-4-7-15(17)18-13-8-9-14-12(11-13)6-5-10-16-14/h8-9,11,16H,2-7,10H2,1H3
InChIKeyCMQDBCGZTGLGTR-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
(3-pentanoyloxyphenyl) hexanoate
CID 91704636
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
(3,4-dimethylphenyl) octanoate
CID 91711444
[3,5-di(octanoyloxy)phenyl] octanoate
CID 89239822
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
ethyl 3-[methyl-[2-[2-[2-(1,2,3,4-tetrahydroquinolin-6-yloxy)ethoxy]ethoxy]ethyl]amino]propanoate
CID 141436857
1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate
CID 11514982
[4-(4-octanoyloxyphenyl)phenyl] octanoate
CID 100963923

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl hexanoate?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl hexanoate (CID 23036154) is 1,2,3,4-tetrahydroquinolin-6-yl hexanoate.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-6-yl hexanoate?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-6-yl hexanoate is CCCCCC(=O)Oc1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-6-yl hexanoate?
The InChIKey is CMQDBCGZTGLGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-4-7-15(17)18-13-8-9-14-12(11-13)6-5-10-16-14/h8-9,11,16H,2-7,10H2,1H3.
What are the key properties of 1,2,3,4-tetrahydroquinolin-6-yl hexanoate?
1,2,3,4-tetrahydroquinolin-6-yl hexanoate has a molecular weight of 247.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-6-yl hexanoate is sourced from PubChem (CID 23036154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).