6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one

C20H26N2O2 — CID 66941580

IUPAC6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
SMILESCN(CC1CC1)CC1CCC(Oc2ccc3c(=O)[nH]ccc3c2)C1
InChIInChI=1S/C20H26N2O2/c1-22(12-14-2-3-14)13-15-4-5-17(10-15)24-18-6-7-19-16(11-18)8-9-21-20(19)23/h6-9,11,14-15,17H,2-5,10,12-13H2,1H3,(H,21,23)
InChIKeySSCDZOFXYICWGU-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.42
Rot. Bonds6

About 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one

6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one (PubChem CID 66941580) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
PubChem CID66941580
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
SMILESCN(CC1CC1)CC1CCC(Oc2ccc3c(=O)[nH]ccc3c2)C1
InChIInChI=1S/C20H26N2O2/c1-22(12-14-2-3-14)13-15-4-5-17(10-15)24-18-6-7-19-16(11-18)8-9-21-20(19)23/h6-9,11,14-15,17H,2-5,10,12-13H2,1H3,(H,21,23)
InChIKeySSCDZOFXYICWGU-UHFFFAOYSA-N
XLogP3.42
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one with MolForge

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Related Compounds

6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 59667352
6-[(1R,3S)-3-(methylaminomethyl)cyclopentyl]oxy-2H-isoquinolin-1-one
CID 59667354
6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 66941212
6-[(1R,4S)-4-aminocycloheptyl]oxy-2H-isoquinolin-1-one
CID 25109597
6-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 24999621
methane;6-methoxy-2H-isoquinolin-1-one
CID 143675508
6-[1-[(3-methylphenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one
CID 67743464
N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one
CID 143626581
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142
6-amino-2H-isoquinolin-1-one;N-methylcyclohexanamine
CID 143705474
6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one
CID 18452922
7-chloro-6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 24999315

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one (CID 66941580) is 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one is CN(CC1CC1)CC1CCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.
What is the InChIKey of 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The InChIKey is SSCDZOFXYICWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22(12-14-2-3-14)13-15-4-5-17(10-15)24-18-6-7-19-16(11-18)8-9-21-20(19)23/h6-9,11,14-15,17H,2-5,10,12-13H2,1H3,(H,21,23).
What are the key properties of 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 66941580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).