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

C16H22N2 — CID 167829524

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 Name4-[(1R,6S)-2-azabicyclo[4.2.0]octan-2-yl]-5,6,7,8-tetrahydroquinoline
PubChem CID167829524
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-[(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
XLogP3.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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).