4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline

Name: 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₂N₂ — CID 167829524

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline

SMILESc1cc(N2CCC[C@H]3CC[C@H]32)c2c(n1)CCCC2

InChIInChI=1S/C16H22N2/c1-2-6-14-13(5-1)16(9-10-17-14)18-11-3-4-12-7-8-15(12)18/h9-10,12,15H,1-8,11H2/t12-,15+/m0/s1

InChIKeyIOUYDEQGVSDZHC-SWLSCSKDSA-N

MW242.37 g/mol

LogP3.34

Rot. Bonds1

About 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline

4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline (PubChem CID 167829524) has the molecular formula C₁₆H₂₂N₂ and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name	4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline
PubChem CID	167829524
Molecular Formula	C₁₆H₂₂N₂
Molecular Weight	242.37 g/mol
Exact Mass	242.18
IUPAC Name	4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline
SMILES	c1cc(N2CCC[C@H]3CC[C@H]32)c2c(n1)CCCC2
InChI	InChI=1S/C16H22N2/c1-2-6-14-13(5-1)16(9-10-17-14)18-11-3-4-12-7-8-15(12)18/h9-10,12,15H,1-8,11H2/t12-,15+/m0/s1
InChIKey	IOUYDEQGVSDZHC-SWLSCSKDSA-N
XLogP	3.34
TPSA	16.13 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	242.37
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline?

The IUPAC name of 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline (CID 167829524) is 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline?

The canonical SMILES for 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline is c1cc(N2CCC[C@H]3CC[C@H]32)c2c(n1)CCCC2.

What is the InChIKey of 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline?

The InChIKey is IOUYDEQGVSDZHC-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-6-14-13(5-1)16(9-10-17-14)18-11-3-4-12-7-8-15(12)18/h9-10,12,15H,1-8,11H2/t12-,15+/m0/s1.

What are the key properties of 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline?

4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline has a molecular weight of 242.37 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 167829524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 167829524 — identifiers, structure, computed properties (public domain)

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