6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one

C18H24N2O2 — CID 59667352

IUPAC6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
SMILESCCN(C)C[C@H]1CC[C@@H](Oc2ccc3c(=O)[nH]ccc3c2)C1
InChIInChI=1S/C18H24N2O2/c1-3-20(2)12-13-4-5-15(10-13)22-16-6-7-17-14(11-16)8-9-19-18(17)21/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyFIOJLVUXSXHDIP-DZGCQCFKSA-N
MW300.40 g/mol
LogP3.03
Rot. Bonds5

About 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one

6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one (PubChem CID 59667352) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
PubChem CID59667352
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
SMILESCCN(C)C[C@H]1CC[C@@H](Oc2ccc3c(=O)[nH]ccc3c2)C1
InChIInChI=1S/C18H24N2O2/c1-3-20(2)12-13-4-5-15(10-13)22-16-6-7-17-14(11-16)8-9-19-18(17)21/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyFIOJLVUXSXHDIP-DZGCQCFKSA-N
XLogP3.03
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one with MolForge

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Related Compounds

6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 66941580
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
tert-butyl (3S)-3-[(1-oxo-2H-isoquinolin-6-yl)oxy]piperidine-1-carboxylate;6-[(3S)-piperidin-3-yl]oxy-2H-isoquinolin-1-one
CID 162245361
N,N-dimethylcyclohexanamine;6-hydroxy-2H-isoquinolin-1-one
CID 143626581
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142
6-pentan-3-yl-2H-isoquinolin-1-one
CID 67475495
6-amino-2H-isoquinolin-1-one;N-methylcyclohexanamine
CID 143705474

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one (CID 59667352) is 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one is CCN(C)C[C@H]1CC[C@@H](Oc2ccc3c(=O)[nH]ccc3c2)C1.
What is the InChIKey of 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The InChIKey is FIOJLVUXSXHDIP-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-20(2)12-13-4-5-15(10-13)22-16-6-7-17-14(11-16)8-9-19-18(17)21/h6-9,11,13,15H,3-5,10,12H2,1-2H3,(H,19,21)/t13-,15+/m0/s1.
What are the key properties of 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one has a molecular weight of 300.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 59667352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).