3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone

C15H16N2O — CID 24817907

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O/c1-16-9-4-7-14(16)15(18)17-10-8-12-5-2-3-6-13(12)11-17/h2-7,9H,8,10-11H2,1H3
InChIKeyXKKHRIYKDTZUPW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.22
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone (PubChem CID 24817907) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone
PubChem CID24817907
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O/c1-16-9-4-7-14(16)15(18)17-10-8-12-5-2-3-6-13(12)11-17/h2-7,9H,8,10-11H2,1H3
InChIKeyXKKHRIYKDTZUPW-UHFFFAOYSA-N
XLogP2.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-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

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone (CID 24817907) is 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone?
The InChIKey is XKKHRIYKDTZUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-9-4-7-14(16)15(18)17-10-8-12-5-2-3-6-13(12)11-17/h2-7,9H,8,10-11H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone has a molecular weight of 240.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 24817907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).