3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine

C18H19N3O — CID 135145356

IUPAC3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)c1ccncc1
InChIInChI=1S/C18H19N3O/c1-19-9-8-17(14-5-10-20-11-6-14)22-18-4-2-3-15-13-21-12-7-16(15)18/h2-7,10-13,17,19H,8-9H2,1H3
InChIKeyKOFGZMZWOOYTMR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.36
Rot. Bonds6

About 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine

3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 135145356) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID135145356
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)c1ccncc1
InChIInChI=1S/C18H19N3O/c1-19-9-8-17(14-5-10-20-11-6-14)22-18-4-2-3-15-13-21-12-7-16(15)18/h2-7,10-13,17,19H,8-9H2,1H3
InChIKeyKOFGZMZWOOYTMR-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine (CID 135145356) is 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine is CNCCC(Oc1cccc2cnccc12)c1ccncc1.
What is the InChIKey of 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is KOFGZMZWOOYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-19-9-8-17(14-5-10-20-11-6-14)22-18-4-2-3-15-13-21-12-7-16(15)18/h2-7,10-13,17,19H,8-9H2,1H3.
What are the key properties of 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine?
3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yloxy-N-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 135145356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).