(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone

C17H19NO2 — CID 116747833

IUPAC(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone
SMILESCCOC1(C(=O)c2cncc3ccccc23)CCCC1
InChIInChI=1S/C17H19NO2/c1-2-20-17(9-5-6-10-17)16(19)15-12-18-11-13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyQOCLXOPMHLGHCA-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.77
Rot. Bonds4

About (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone

(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone (PubChem CID 116747833) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone
PubChem CID116747833
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone
SMILESCCOC1(C(=O)c2cncc3ccccc23)CCCC1
InChIInChI=1S/C17H19NO2/c1-2-20-17(9-5-6-10-17)16(19)15-12-18-11-13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyQOCLXOPMHLGHCA-UHFFFAOYSA-N
XLogP3.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone (CID 116747833) is (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone is CCOC1(C(=O)c2cncc3ccccc23)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone?
The InChIKey is QOCLXOPMHLGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17(9-5-6-10-17)16(19)15-12-18-11-13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone?
(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone has a molecular weight of 269.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 116747833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).