2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one

C25H28N2O — CID 141221739

IUPAC2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one
SMILESCc1ccccc1-c1ccc2c(=O)n(CC3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C25H28N2O/c1-18-4-2-3-5-23(18)20-6-9-24-21(16-20)12-15-27(25(24)28)17-19-10-13-26(14-11-19)22-7-8-22/h2-6,9,12,15-16,19,22H,7-8,10-11,13-14,17H2,1H3
InChIKeyZFGFQQAXZHFZRP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.85
Rot. Bonds4

About 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one

2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one (PubChem CID 141221739) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one
PubChem CID141221739
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one
SMILESCc1ccccc1-c1ccc2c(=O)n(CC3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C25H28N2O/c1-18-4-2-3-5-23(18)20-6-9-24-21(16-20)12-15-27(25(24)28)17-19-10-13-26(14-11-19)22-7-8-22/h2-6,9,12,15-16,19,22H,7-8,10-11,13-14,17H2,1H3
InChIKeyZFGFQQAXZHFZRP-UHFFFAOYSA-N
XLogP4.85
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one with MolForge

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Related Compounds

6-fluoro-2-(piperidin-4-ylmethyl)isoquinolin-1-one
CID 82151065
6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one
CID 171782169
1,3-bis(cyclohexylmethyl)-5-(2-methylphenyl)indole
CID 142579626
N-cyclopropyl-4-methyl-3-(1-oxo-2-prop-2-enylisoquinolin-6-yl)benzamide
CID 25020456
1-(cyclopentylmethyl)-3-methylpyridin-2-one
CID 115746868
2-(piperidin-4-ylmethyl)-6-propoxyisoquinolin-1-one
CID 82151062
6-(2-methylphenyl)naphthalen-1-ol
CID 71167346
2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139958945
3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 115634011
N-cyclopropyl-4-methyl-3-[2-[(6-methyl-3-pyridinyl)methyl]-1-oxoisoquinolin-6-yl]benzamide
CID 67990496
3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146078319
1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
CID 46988681

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one?
The IUPAC name of 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one (CID 141221739) is 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one.
What is the SMILES notation for 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one?
The canonical SMILES for 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one is Cc1ccccc1-c1ccc2c(=O)n(CC3CCN(C4CC4)CC3)ccc2c1.
What is the InChIKey of 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one?
The InChIKey is ZFGFQQAXZHFZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-4-2-3-5-23(18)20-6-9-24-21(16-20)12-15-27(25(24)28)17-19-10-13-26(14-11-19)22-7-8-22/h2-6,9,12,15-16,19,22H,7-8,10-11,13-14,17H2,1H3.
What are the key properties of 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one?
2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one has a molecular weight of 372.51 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpiperidin-4-yl)methyl]-6-(2-methylphenyl)isoquinolin-1-one is sourced from PubChem (CID 141221739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).