5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

C15H16N2 — CID 56877313

IUPAC5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cnccc1-c1cccc2c1CCNC2
InChIInChI=1S/C15H16N2/c1-11-9-16-7-5-13(11)15-4-2-3-12-10-17-8-6-14(12)15/h2-5,7,9,17H,6,8,10H2,1H3
InChIKeyAWBFOWOQZSJCQG-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.70
Rot. Bonds1

About 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56877313) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID56877313
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cnccc1-c1cccc2c1CCNC2
InChIInChI=1S/C15H16N2/c1-11-9-16-7-5-13(11)15-4-2-3-12-10-17-8-6-14(12)15/h2-5,7,9,17H,6,8,10H2,1H3
InChIKeyAWBFOWOQZSJCQG-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (CID 56877313) is 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is Cc1cnccc1-c1cccc2c1CCNC2.
What is the InChIKey of 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AWBFOWOQZSJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-9-16-7-5-13(11)15-4-2-3-12-10-17-8-6-14(12)15/h2-5,7,9,17H,6,8,10H2,1H3.
What are the key properties of 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 224.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56877313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).