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

C18H22N2O2 — CID 66941212

IUPAC6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(OC3CCC(CNC4CC4)C3)ccc12
InChIInChI=1S/C18H22N2O2/c21-18-17-6-5-16(10-13(17)7-8-19-18)22-15-4-1-12(9-15)11-20-14-2-3-14/h5-8,10,12,14-15,20H,1-4,9,11H2,(H,19,21)
InChIKeyDSVNVFUIQRXUCD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.83
Rot. Bonds5

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

6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one (PubChem CID 66941212) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
PubChem CID66941212
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(OC3CCC(CNC4CC4)C3)ccc12
InChIInChI=1S/C18H22N2O2/c21-18-17-6-5-16(10-13(17)7-8-19-18)22-15-4-1-12(9-15)11-20-14-2-3-14/h5-8,10,12,14-15,20H,1-4,9,11H2,(H,19,21)
InChIKeyDSVNVFUIQRXUCD-UHFFFAOYSA-N
XLogP2.83
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[(1R,3S)-3-(methylaminomethyl)cyclopentyl]oxy-2H-isoquinolin-1-one
CID 59667354
6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 66941580
6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 59667352
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
6-[[4-(benzylamino)cyclohexyl]amino]-2H-isoquinolin-1-one
CID 59226273
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
6-amino-2H-isoquinolin-1-one;N-methylcyclohexanamine
CID 143705474
methane;6-methoxy-2H-isoquinolin-1-one
CID 143675508
6-cyclopropyl-2H-isoquinolin-1-one
CID 90054240
cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one
CID 143626578

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one (CID 66941212) is 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one is O=c1[nH]ccc2cc(OC3CCC(CNC4CC4)C3)ccc12.
What is the InChIKey of 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
The InChIKey is DSVNVFUIQRXUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18-17-6-5-16(10-13(17)7-8-19-18)22-15-4-1-12(9-15)11-20-14-2-3-14/h5-8,10,12,14-15,20H,1-4,9,11H2,(H,19,21).
What are the key properties of 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one?
6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 66941212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).