2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline

C20H21NO — CID 134900673

IUPAC2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESC=C1c2ccccc2C(C)OC1N1CCc2ccccc2C1
InChIInChI=1S/C20H21NO/c1-14-18-9-5-6-10-19(18)15(2)22-20(14)21-12-11-16-7-3-4-8-17(16)13-21/h3-10,15,20H,1,11-13H2,2H3
InChIKeyNPCLECSSPZWSDC-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.18
Rot. Bonds1

About 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline

2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 134900673) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID134900673
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESC=C1c2ccccc2C(C)OC1N1CCc2ccccc2C1
InChIInChI=1S/C20H21NO/c1-14-18-9-5-6-10-19(18)15(2)22-20(14)21-12-11-16-7-3-4-8-17(16)13-21/h3-10,15,20H,1,11-13H2,2H3
InChIKeyNPCLECSSPZWSDC-UHFFFAOYSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-methyl-4-methylidene-1H-isochromen-3-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline (CID 134900673) is 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline is C=C1c2ccccc2C(C)OC1N1CCc2ccccc2C1.
What is the InChIKey of 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is NPCLECSSPZWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-14-18-9-5-6-10-19(18)15(2)22-20(14)21-12-11-16-7-3-4-8-17(16)13-21/h3-10,15,20H,1,11-13H2,2H3.
What are the key properties of 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 291.39 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 134900673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).