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

C19H17N — CID 91488150

IUPAC3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
SMILESc1ccc2ncc(-c3ccc4c(c3)CCCC4)cc2c1
InChIInChI=1S/C19H17N/c1-2-6-15-11-16(10-9-14(15)5-1)18-12-17-7-3-4-8-19(17)20-13-18/h3-4,7-13H,1-2,5-6H2
InChIKeyIRQMCPGTJJHTMX-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.78
Rot. Bonds1

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

3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline (PubChem CID 91488150) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
PubChem CID91488150
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
SMILESc1ccc2ncc(-c3ccc4c(c3)CCCC4)cc2c1
InChIInChI=1S/C19H17N/c1-2-6-15-11-16(10-9-14(15)5-1)18-12-17-7-3-4-8-19(17)20-13-18/h3-4,7-13H,1-2,5-6H2
InChIKeyIRQMCPGTJJHTMX-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline (CID 91488150) is 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline is c1ccc2ncc(-c3ccc4c(c3)CCCC4)cc2c1.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline?
The InChIKey is IRQMCPGTJJHTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-2-6-15-11-16(10-9-14(15)5-1)18-12-17-7-3-4-8-19(17)20-13-18/h3-4,7-13H,1-2,5-6H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline?
3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline has a molecular weight of 259.35 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline is sourced from PubChem (CID 91488150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).