methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

C19H21NO2 — CID 24901532

IUPACmethyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1Cc2c(ccc(C)c2C)C(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-13-9-10-16-17(14(13)2)11-20(19(21)22-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3
InChIKeyPEXJZWKMZUIUFY-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.02
Rot. Bonds1

About methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 24901532) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID24901532
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1Cc2c(ccc(C)c2C)C(c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-13-9-10-16-17(14(13)2)11-20(19(21)22-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3
InChIKeyPEXJZWKMZUIUFY-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate 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 methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 24901532) is methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is COC(=O)N1Cc2c(ccc(C)c2C)C(c2ccccc2)C1.
What is the InChIKey of methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is PEXJZWKMZUIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-9-10-16-17(14(13)2)11-20(19(21)22-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3.
What are the key properties of methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 24901532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).