2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C14H14N4O — CID 63095950

IUPAC2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(CN)c1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C14H14N4O/c1-9(8-15)14-17-13(18-19-14)11-4-5-12-10(7-11)3-2-6-16-12/h2-7,9H,8,15H2,1H3
InChIKeyDHRVTOQODCUEOS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.35
Rot. Bonds3

About 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 63095950) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID63095950
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(CN)c1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C14H14N4O/c1-9(8-15)14-17-13(18-19-14)11-4-5-12-10(7-11)3-2-6-16-12/h2-7,9H,8,15H2,1H3
InChIKeyDHRVTOQODCUEOS-UHFFFAOYSA-N
XLogP2.35
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 65221531
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63349181
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
2-amino-2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63097003
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-methoxy-N-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758117
2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436223
(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901617
5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine
CID 66300911
(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104881165
3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 63096652

Frequently Asked Questions

What is the IUPAC name of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 63095950) is 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(CN)c1nc(-c2ccc3ncccc3c2)no1.
What is the InChIKey of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is DHRVTOQODCUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(8-15)14-17-13(18-19-14)11-4-5-12-10(7-11)3-2-6-16-12/h2-7,9H,8,15H2,1H3.
What are the key properties of 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 254.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 63095950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).