7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

C14H14N2 — CID 58416433

IUPAC7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(-c2ccc3c(c2)CNCC3)ccn1
InChIInChI=1S/C14H14N2/c1-2-13(12-3-6-15-7-4-12)9-14-10-16-8-5-11(1)14/h1-4,6-7,9,16H,5,8,10H2
InChIKeyBIEVYSHRARVMEI-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.39
Rot. Bonds1

About 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 58416433) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID58416433
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(-c2ccc3c(c2)CNCC3)ccn1
InChIInChI=1S/C14H14N2/c1-2-13(12-3-6-15-7-4-12)9-14-10-16-8-5-11(1)14/h1-4,6-7,9,16H,5,8,10H2
InChIKeyBIEVYSHRARVMEI-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (CID 58416433) is 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is c1cc(-c2ccc3c(c2)CNCC3)ccn1.
What is the InChIKey of 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BIEVYSHRARVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-13(12-3-6-15-7-4-12)9-14-10-16-8-5-11(1)14/h1-4,6-7,9,16H,5,8,10H2.
What are the key properties of 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 210.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 58416433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).