1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one

C14H16N2O2 — CID 58429500

IUPAC1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one
SMILESNC1=NC(=O)Cc2cccc(OC3CCCC3)c21
InChIInChI=1S/C14H16N2O2/c15-14-13-9(8-12(17)16-14)4-3-7-11(13)18-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H2,15,16,17)
InChIKeyJBQUVXNBGQDVPO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.80
Rot. Bonds2

About 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one

1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one (PubChem CID 58429500) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one
PubChem CID58429500
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one
SMILESNC1=NC(=O)Cc2cccc(OC3CCCC3)c21
InChIInChI=1S/C14H16N2O2/c15-14-13-9(8-12(17)16-14)4-3-7-11(13)18-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H2,15,16,17)
InChIKeyJBQUVXNBGQDVPO-UHFFFAOYSA-N
XLogP1.80
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one?
The IUPAC name of 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one (CID 58429500) is 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one.
What is the SMILES notation for 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one?
The canonical SMILES for 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one is NC1=NC(=O)Cc2cccc(OC3CCCC3)c21.
What is the InChIKey of 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one?
The InChIKey is JBQUVXNBGQDVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14-13-9(8-12(17)16-14)4-3-7-11(13)18-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H2,15,16,17).
What are the key properties of 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one?
1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one has a molecular weight of 244.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one is sourced from PubChem (CID 58429500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).