2,3,5,8-tetrahydroquinoline

C9H11N — CID 57204244

IUPAC2,3,5,8-tetrahydroquinoline
SMILESC1=CCC2=NCCC=C2C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,5H,3-4,6-7H2
InChIKeyOJZMABZMIKDIIH-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.11
Rot. Bonds

About 2,3,5,8-tetrahydroquinoline

2,3,5,8-tetrahydroquinoline (PubChem CID 57204244) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2,3,5,8-tetrahydroquinoline.

Molecular Properties

Compound Name2,3,5,8-tetrahydroquinoline
PubChem CID57204244
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2,3,5,8-tetrahydroquinoline
SMILESC1=CCC2=NCCC=C2C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,5H,3-4,6-7H2
InChIKeyOJZMABZMIKDIIH-UHFFFAOYSA-N
XLogP2.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3h-Quinoline
CID 22027752
2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
4,6,7,8-Tetrahydroquinoline
CID 54001033
Azabicyclohexene
CID 67825525
4-Methyl-2,3-dihydroquinoline
CID 68274032
4,6-Dihydroquinoline
CID 129722681
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894
(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline
CID 170295856
6-Fluoro-2,6-dihydroquinoline
CID 173531805
(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
CID 174141813
N-allyl(2-cyclohexylidenecyclohexylidene)amine
CID 129812418

Frequently Asked Questions

What is the IUPAC name of 2,3,5,8-tetrahydroquinoline?
The IUPAC name of 2,3,5,8-tetrahydroquinoline (CID 57204244) is 2,3,5,8-tetrahydroquinoline.
What is the SMILES notation for 2,3,5,8-tetrahydroquinoline?
The canonical SMILES for 2,3,5,8-tetrahydroquinoline is C1=CCC2=NCCC=C2C1.
What is the InChIKey of 2,3,5,8-tetrahydroquinoline?
The InChIKey is OJZMABZMIKDIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,5H,3-4,6-7H2.
What are the key properties of 2,3,5,8-tetrahydroquinoline?
2,3,5,8-tetrahydroquinoline has a molecular weight of 133.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8-tetrahydroquinoline is sourced from PubChem (CID 57204244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).