2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

C21H21N — CID 68993738

IUPAC2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1C(c1ccc3ccccc3c1)CN(C)C2
InChIInChI=1S/C21H21N/c1-15-6-5-9-19-13-22(2)14-20(21(15)19)18-11-10-16-7-3-4-8-17(16)12-18/h3-12,20H,13-14H2,1-2H3
InChIKeyJSHASAWQPDVBRE-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.73
Rot. Bonds1

About 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68993738) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68993738
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1C(c1ccc3ccccc3c1)CN(C)C2
InChIInChI=1S/C21H21N/c1-15-6-5-9-19-13-22(2)14-20(21(15)19)18-11-10-16-7-3-4-8-17(16)12-18/h3-12,20H,13-14H2,1-2H3
InChIKeyJSHASAWQPDVBRE-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline 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

2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 71450608
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
(4S)-4-(4-fluorophenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497428
(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl) trifluoromethanesulfonate
CID 87201660
(Z)-but-2-enedioic acid;2,7-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 131727463
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
CID 68998146
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
CID 68999624

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (CID 68993738) is 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is Cc1cccc2c1C(c1ccc3ccccc3c1)CN(C)C2.
What is the InChIKey of 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JSHASAWQPDVBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-15-6-5-9-19-13-22(2)14-20(21(15)19)18-11-10-16-7-3-4-8-17(16)12-18/h3-12,20H,13-14H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.41 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68993738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).