4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline

C18H16N2 — CID 166273296

IUPAC4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline
SMILESc1ccc2c(-c3ccnc4c3CCCC4)cncc2c1
InChIInChI=1S/C18H16N2/c1-2-6-14-13(5-1)11-19-12-17(14)15-9-10-20-18-8-4-3-7-16(15)18/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyMGQBDDJGXVSCEW-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.18
Rot. Bonds1

About 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline

4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline (PubChem CID 166273296) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline
PubChem CID166273296
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline
SMILESc1ccc2c(-c3ccnc4c3CCCC4)cncc2c1
InChIInChI=1S/C18H16N2/c1-2-6-14-13(5-1)11-19-12-17(14)15-9-10-20-18-8-4-3-7-16(15)18/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyMGQBDDJGXVSCEW-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline?
The IUPAC name of 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline (CID 166273296) is 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline?
The canonical SMILES for 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline is c1ccc2c(-c3ccnc4c3CCCC4)cncc2c1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline?
The InChIKey is MGQBDDJGXVSCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-6-14-13(5-1)11-19-12-17(14)15-9-10-20-18-8-4-3-7-16(15)18/h1-2,5-6,9-12H,3-4,7-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline?
4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline has a molecular weight of 260.34 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroquinolin-4-yl)isoquinoline is sourced from PubChem (CID 166273296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).