N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C14H14N4O — CID 62874906

IUPACN-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCNCc1noc(-c2cccc3ncccc23)n1
InChIInChI=1S/C14H14N4O/c1-2-15-9-13-17-14(19-18-13)11-5-3-7-12-10(11)6-4-8-16-12/h3-8,15H,2,9H2,1H3
InChIKeyUGRVUPLONPHIGQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds4

About N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 62874906) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID62874906
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCNCc1noc(-c2cccc3ncccc23)n1
InChIInChI=1S/C14H14N4O/c1-2-15-9-13-17-14(19-18-13)11-5-3-7-12-10(11)6-4-8-16-12/h3-8,15H,2,9H2,1H3
InChIKeyUGRVUPLONPHIGQ-UHFFFAOYSA-N
XLogP2.39
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 62874906) is N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCNCc1noc(-c2cccc3ncccc23)n1.
What is the InChIKey of N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is UGRVUPLONPHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-15-9-13-17-14(19-18-13)11-5-3-7-12-10(11)6-4-8-16-12/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 254.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62874906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).