7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one

C17H24N2O — CID 107177863

IUPAC7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCNC(c1ccc2c(c1)C(=O)NCC2)C1CCCC1C
InChIInChI=1S/C17H24N2O/c1-11-4-3-5-14(11)16(18-2)13-7-6-12-8-9-19-17(20)15(12)10-13/h6-7,10-11,14,16,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyLKGSTDGVNLANJR-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.67
Rot. Bonds3

About 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one

7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 107177863) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID107177863
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCNC(c1ccc2c(c1)C(=O)NCC2)C1CCCC1C
InChIInChI=1S/C17H24N2O/c1-11-4-3-5-14(11)16(18-2)13-7-6-12-8-9-19-17(20)15(12)10-13/h6-7,10-11,14,16,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyLKGSTDGVNLANJR-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702
N-methyl-1-(2-methylcyclopentyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177156
8-[methylamino-(5-methyloxolan-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525689
8-[1,4-dioxan-2-yl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525666
7-(1-chloro-2-cyclobutylethyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 103165904
7-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525902
7-[hydroxy-(2-methyloxolan-3-yl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 79762447
7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 107001262
7-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 79974749
7-[bromo-(1-methylcyclohexyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 106828577
7-(2-cycloheptyl-1-hydroxyethyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 114458589
8-(1-chloroethyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526384

Frequently Asked Questions

What is the IUPAC name of 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 107177863) is 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one is CNC(c1ccc2c(c1)C(=O)NCC2)C1CCCC1C.
What is the InChIKey of 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is LKGSTDGVNLANJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-4-3-5-14(11)16(18-2)13-7-6-12-8-9-19-17(20)15(12)10-13/h6-7,10-11,14,16,18H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 107177863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).