3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline

C22H22N2 — CID 140781526

IUPAC3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline
SMILESCc1cccc(C)c1-c1ncccc1-c1cc2c(cn1)CCCC2
InChIInChI=1S/C22H22N2/c1-15-7-5-8-16(2)21(15)22-19(11-6-12-23-22)20-13-17-9-3-4-10-18(17)14-24-20/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyNPONZLXRDALRAT-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.31
Rot. Bonds2

About 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline

3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline (PubChem CID 140781526) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline
PubChem CID140781526
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline
SMILESCc1cccc(C)c1-c1ncccc1-c1cc2c(cn1)CCCC2
InChIInChI=1S/C22H22N2/c1-15-7-5-8-16(2)21(15)22-19(11-6-12-23-22)20-13-17-9-3-4-10-18(17)14-24-20/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyNPONZLXRDALRAT-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline
CID 171590547
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796
6-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-amine;hydrochloride
CID 21219097
3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine
CID 141294405
9-methyl-N-phenylindeno[1,2-b]pyridin-5-imine
CID 606468
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid
CID 82578871
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654
5-(2,3-dimethylphenyl)-2,3-dihydro-1H-indene
CID 173291568
6-[3-methyl-2-(1-methylpyridin-1-ium-2-yl)phenyl]-9H-indeno[2,1-b]pyridine
CID 160701759
3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59465173
8-(3-methyl-2-pyridinyl)quinolin-2-amine
CID 150159281

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline (CID 140781526) is 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline is Cc1cccc(C)c1-c1ncccc1-c1cc2c(cn1)CCCC2.
What is the InChIKey of 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is NPONZLXRDALRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-15-7-5-8-16(2)21(15)22-19(11-6-12-23-22)20-13-17-9-3-4-10-18(17)14-24-20/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline?
3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 314.43 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 140781526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).