2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline

C18H18N2 — CID 91558055

IUPAC2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline
SMILESC1=c2ccccc2=CN(C2CCc3ccccc3N2)C1
InChIInChI=1S/C18H18N2/c1-2-7-16-13-20(12-11-14(16)5-1)18-10-9-15-6-3-4-8-17(15)19-18/h1-8,11,13,18-19H,9-10,12H2
InChIKeyPAFYCUAARVYWQX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.91
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline

2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline (PubChem CID 91558055) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline
PubChem CID91558055
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline
SMILESC1=c2ccccc2=CN(C2CCc3ccccc3N2)C1
InChIInChI=1S/C18H18N2/c1-2-7-16-13-20(12-11-14(16)5-1)18-10-9-15-6-3-4-8-17(15)19-18/h1-8,11,13,18-19H,9-10,12H2
InChIKeyPAFYCUAARVYWQX-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline (CID 91558055) is 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline is C1=c2ccccc2=CN(C2CCc3ccccc3N2)C1.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline?
The InChIKey is PAFYCUAARVYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-7-16-13-20(12-11-14(16)5-1)18-10-9-15-6-3-4-8-17(15)19-18/h1-8,11,13,18-19H,9-10,12H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline?
2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline has a molecular weight of 262.36 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-2-yl)-3H-isoquinoline is sourced from PubChem (CID 91558055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).