3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

C15H16N2 — CID 82583605

IUPAC3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2c(cccc2-c2ccncc2)CN1
InChIInChI=1S/C15H16N2/c1-11-9-15-13(10-17-11)3-2-4-14(15)12-5-7-16-8-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyRXQAJKFFFNIDFY-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.78
Rot. Bonds1

About 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline

3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82583605) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82583605
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2c(cccc2-c2ccncc2)CN1
InChIInChI=1S/C15H16N2/c1-11-9-15-13(10-17-11)3-2-4-14(15)12-5-7-16-8-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyRXQAJKFFFNIDFY-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline (CID 82583605) is 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is CC1Cc2c(cccc2-c2ccncc2)CN1.
What is the InChIKey of 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RXQAJKFFFNIDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-9-15-13(10-17-11)3-2-4-14(15)12-5-7-16-8-6-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline?
3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 224.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82583605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).