1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C25H22N2O — CID 46095669

IUPAC1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1ccc(C2c3ccccc3CCN2C(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C25H22N2O/c1-17-9-11-20(12-10-17)24-21-7-3-2-5-18(21)14-16-27(24)25(28)22-8-4-6-19-13-15-26-23(19)22/h2-13,15,24,26H,14,16H2,1H3
InChIKeyOELMFHAWXOSDPI-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.26
Rot. Bonds2

About 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 46095669) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID46095669
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1ccc(C2c3ccccc3CCN2C(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C25H22N2O/c1-17-9-11-20(12-10-17)24-21-7-3-2-5-18(21)14-16-27(24)25(28)22-8-4-6-19-13-15-26-23(19)22/h2-13,15,24,26H,14,16H2,1H3
InChIKeyOELMFHAWXOSDPI-UHFFFAOYSA-N
XLogP5.26
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone 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

[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone
CID 46095679
[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 46095510
(2,5-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92768096
furan-2-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 42691571
(3,4-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92767988
(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767297
3-methyl-1-[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one
CID 92757749
[3,5-bis(trifluoromethyl)phenyl]-[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92772834
[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
CID 46095577
1-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenylethanone
CID 92818850
3-cyclopentyl-1-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 46095444
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methylphenyl)methanone
CID 92767919

Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 46095669) is 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is Cc1ccc(C2c3ccccc3CCN2C(=O)c2cccc3cc[nH]c23)cc1.
What is the InChIKey of 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is OELMFHAWXOSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-17-9-11-20(12-10-17)24-21-7-3-2-5-18(21)14-16-27(24)25(28)22-8-4-6-19-13-15-26-23(19)22/h2-13,15,24,26H,14,16H2,1H3.
What are the key properties of 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 46095669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).