3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride

C20H25ClN2O2 — CID 173112525

IUPAC3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride
SMILESCOC1C=C2C(=CN(C)C(CN(C)C)=C2c2ccccc2)CC1=O.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-21(2)13-17-20(14-8-6-5-7-9-14)16-11-19(24-4)18(23)10-15(16)12-22(17)3;/h5-9,11-12,19H,10,13H2,1-4H3;1H
InChIKeyFHJFADXSBOCZMM-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.12
Rot. Bonds4

About 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride

3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride (PubChem CID 173112525) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride
PubChem CID173112525
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride
SMILESCOC1C=C2C(=CN(C)C(CN(C)C)=C2c2ccccc2)CC1=O.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-21(2)13-17-20(14-8-6-5-7-9-14)16-11-19(24-4)18(23)10-15(16)12-22(17)3;/h5-9,11-12,19H,10,13H2,1-4H3;1H
InChIKeyFHJFADXSBOCZMM-UHFFFAOYSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride 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 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride (CID 173112525) is 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride is COC1C=C2C(=CN(C)C(CN(C)C)=C2c2ccccc2)CC1=O.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride?
The InChIKey is FHJFADXSBOCZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-21(2)13-17-20(14-8-6-5-7-9-14)16-11-19(24-4)18(23)10-15(16)12-22(17)3;/h5-9,11-12,19H,10,13H2,1-4H3;1H.
What are the key properties of 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride?
3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-6-methoxy-2-methyl-4-phenyl-6,8-dihydroisoquinolin-7-one;hydrochloride is sourced from PubChem (CID 173112525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).