[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol

C17H22N2O2 — CID 61435603

IUPAC[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol
SMILESCCN(CC1CCCO1)c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-2-19(11-15-7-5-9-21-15)17-16-8-4-3-6-13(16)10-14(12-20)18-17/h3-4,6,8,10,15,20H,2,5,7,9,11-12H2,1H3
InChIKeyDLJYUNOKSZWDLM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.73
Rot. Bonds5

About [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol

[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol (PubChem CID 61435603) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol
PubChem CID61435603
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol
SMILESCCN(CC1CCCO1)c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-2-19(11-15-7-5-9-21-15)17-16-8-4-3-6-13(16)10-14(12-20)18-17/h3-4,6,8,10,15,20H,2,5,7,9,11-12H2,1H3
InChIKeyDLJYUNOKSZWDLM-UHFFFAOYSA-N
XLogP2.73
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[cyclobutylmethyl(ethyl)amino]isoquinolin-3-yl]methanol
CID 107400671
2-[ethyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61434670
2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 50980746
3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61434192
[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61435500
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133273815
3-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 63785517
[4-[ethyl(oxolan-2-ylmethyl)amino]-3-nitrophenyl]methanol
CID 61434531
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
1-[cyclobutylmethyl(ethyl)amino]isoquinoline-3-carboxylic acid
CID 107399143
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76904065

Frequently Asked Questions

What is the IUPAC name of [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol (CID 61435603) is [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol is CCN(CC1CCCO1)c1nc(CO)cc2ccccc12.
What is the InChIKey of [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol?
The InChIKey is DLJYUNOKSZWDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-19(11-15-7-5-9-21-15)17-16-8-4-3-6-13(16)10-14(12-20)18-17/h3-4,6,8,10,15,20H,2,5,7,9,11-12H2,1H3.
What are the key properties of [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol?
[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol is sourced from PubChem (CID 61435603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).