3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline

C16H18N2 — CID 23447714

IUPAC3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline
SMILESc1ccc2ncc(/C3=N/CCCCCC3)cc2c1
InChIInChI=1S/C16H18N2/c1-2-6-10-17-16(8-3-1)14-11-13-7-4-5-9-15(13)18-12-14/h4-5,7,9,11-12H,1-3,6,8,10H2/b17-16+
InChIKeyXUSTUGHWZXUSIU-WUKNDPDISA-N
MW238.33 g/mol
LogP3.99
Rot. Bonds1

About 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline

3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline (PubChem CID 23447714) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline.

Molecular Properties

Compound Name3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline
PubChem CID23447714
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline
SMILESc1ccc2ncc(/C3=N/CCCCCC3)cc2c1
InChIInChI=1S/C16H18N2/c1-2-6-10-17-16(8-3-1)14-11-13-7-4-5-9-15(13)18-12-14/h4-5,7,9,11-12H,1-3,6,8,10H2/b17-16+
InChIKeyXUSTUGHWZXUSIU-WUKNDPDISA-N
XLogP3.99
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
CID 91488150
3-quinolin-3-ylcyclohept-2-en-1-amine
CID 107383271
7-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
CID 82540945
3-pyridin-4-ylquinoline
CID 10081720
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-anthracen-9-ylquinoline
CID 170654314
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
2-quinolin-3-ylaniline
CID 4134401

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline?
The IUPAC name of 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline (CID 23447714) is 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline.
What is the SMILES notation for 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline?
The canonical SMILES for 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline is c1ccc2ncc(/C3=N/CCCCCC3)cc2c1.
What is the InChIKey of 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline?
The InChIKey is XUSTUGHWZXUSIU-WUKNDPDISA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-10-17-16(8-3-1)14-11-13-7-4-5-9-15(13)18-12-14/h4-5,7,9,11-12H,1-3,6,8,10H2/b17-16+.
What are the key properties of 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline?
3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline has a molecular weight of 238.33 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline is sourced from PubChem (CID 23447714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).