3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride

C16H17ClN4O2 — CID 120852980

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cc4ccccc4c(=O)[nH]3)n2)CCCC1
InChIInChI=1S/C16H16N4O2.ClH/c17-16(7-3-4-8-16)15-19-14(22-20-15)12-9-10-5-1-2-6-11(10)13(21)18-12;/h1-2,5-6,9H,3-4,7-8,17H2,(H,18,21);1H
InChIKeyJDQCYCZMLOOTPS-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.73
Rot. Bonds2

About 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride (PubChem CID 120852980) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
PubChem CID120852980
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cc4ccccc4c(=O)[nH]3)n2)CCCC1
InChIInChI=1S/C16H16N4O2.ClH/c17-16(7-3-4-8-16)15-19-14(22-20-15)12-9-10-5-1-2-6-11(10)13(21)18-12;/h1-2,5-6,9H,3-4,7-8,17H2,(H,18,21);1H
InChIKeyJDQCYCZMLOOTPS-UHFFFAOYSA-N
XLogP2.73
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride with MolForge

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Related Compounds

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137031613
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 137031633
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61406799
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860494
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 137096064
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120855673
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851364
2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one
CID 167905774
3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one
CID 95763189
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride (CID 120852980) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride is Cl.NC1(c2noc(-c3cc4ccccc4c(=O)[nH]3)n2)CCCC1.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride?
The InChIKey is JDQCYCZMLOOTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2.ClH/c17-16(7-3-4-8-16)15-19-14(22-20-15)12-9-10-5-1-2-6-11(10)13(21)18-12;/h1-2,5-6,9H,3-4,7-8,17H2,(H,18,21);1H.
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride has a molecular weight of 332.79 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride is sourced from PubChem (CID 120852980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).