7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

C21H21NO — CID 44546742

IUPAC7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO/c1-22-13-18-12-19(23-2)9-10-20(18)21(14-22)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,21H,13-14H2,1-2H3
InChIKeyFZPCCSSMXFFDEE-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.43
Rot. Bonds2

About 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 44546742) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID44546742
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO/c1-22-13-18-12-19(23-2)9-10-20(18)21(14-22)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,21H,13-14H2,1-2H3
InChIKeyFZPCCSSMXFFDEE-UHFFFAOYSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-2-methyl-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

Dextromethorphan
CID 5360696
Levomethorphan
CID 5362449
(+-)-3-Methoxy-17-methylmorphinan
CID 3008
(-)-Nuciferine
CID 10146
Antofine
CID 639288
(14aR)-11,12,13,14,14a,15-Hexahydro-2,3,6-trimethoxy-9H-phenanthro(9,10-b)quinolizine
CID 92765
Aprphine, 1,2-dimethoxy-, (+-)-
CID 22156
Tylophorine
CID 92114
2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine
CID 3750957
(13aR)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-6-ol
CID 9975115
8-Methoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 44352179
N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine
CID 781301

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (CID 44546742) is 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(C)CC2c1ccc2ccccc2c1.
What is the InChIKey of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FZPCCSSMXFFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22-13-18-12-19(23-2)9-10-20(18)21(14-22)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,21H,13-14H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 303.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 44546742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).