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

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Related Compounds

Bupicomide
CID 31447
PARP Inhibitor XIV
CID 25113764
Piberaline
CID 65975
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 24849157
N-((4-Methylphenyl)methyl)-1H-pyrrole-2-carboxamide
CID 1489245
piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874

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).