(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine

C15H14N4O — CID 104504558

IUPAC(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
SMILESNC(c1noc(C2CC2)n1)c1cncc2ccccc12
InChIInChI=1S/C15H14N4O/c16-13(14-18-15(20-19-14)9-5-6-9)12-8-17-7-10-3-1-2-4-11(10)12/h1-4,7-9,13H,5-6,16H2
InChIKeyLGQKZTTVWVLDJZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.54
Rot. Bonds3

About (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine (PubChem CID 104504558) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
PubChem CID104504558
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
SMILESNC(c1noc(C2CC2)n1)c1cncc2ccccc12
InChIInChI=1S/C15H14N4O/c16-13(14-18-15(20-19-14)9-5-6-9)12-8-17-7-10-3-1-2-4-11(10)12/h1-4,7-9,13H,5-6,16H2
InChIKeyLGQKZTTVWVLDJZ-UHFFFAOYSA-N
XLogP2.54
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine?
The IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine (CID 104504558) is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine.
What is the SMILES notation for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine?
The canonical SMILES for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine is NC(c1noc(C2CC2)n1)c1cncc2ccccc12.
What is the InChIKey of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine?
The InChIKey is LGQKZTTVWVLDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-13(14-18-15(20-19-14)9-5-6-9)12-8-17-7-10-3-1-2-4-11(10)12/h1-4,7-9,13H,5-6,16H2.
What are the key properties of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine?
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine has a molecular weight of 266.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine is sourced from PubChem (CID 104504558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).