2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol

C15H20N2O3 — CID 107866247

IUPAC2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nccc2cc(OC)ccc12
InChIInChI=1S/C15H20N2O3/c1-3-15(9-18,10-19)17-14-13-5-4-12(20-2)8-11(13)6-7-16-14/h4-8,18-19H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyZHYIQOMCEZUJQV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.79
Rot. Bonds6

About 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol

2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol (PubChem CID 107866247) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
PubChem CID107866247
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nccc2cc(OC)ccc12
InChIInChI=1S/C15H20N2O3/c1-3-15(9-18,10-19)17-14-13-5-4-12(20-2)8-11(13)6-7-16-14/h4-8,18-19H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyZHYIQOMCEZUJQV-UHFFFAOYSA-N
XLogP1.79
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol with MolForge

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Related Compounds

3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
CID 106171338
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
CID 106539125
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839
2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540980
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol (CID 107866247) is 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol is CCC(CO)(CO)Nc1nccc2cc(OC)ccc12.
What is the InChIKey of 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol?
The InChIKey is ZHYIQOMCEZUJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-15(9-18,10-19)17-14-13-5-4-12(20-2)8-11(13)6-7-16-14/h4-8,18-19H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol?
2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol has a molecular weight of 276.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107866247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).