5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine

C13H13N5O — CID 106393652

IUPAC5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ncno2)c2cccnc12
InChIInChI=1S/C13H13N5O/c14-10-3-4-11(9-2-1-6-16-13(9)10)15-7-5-12-17-8-18-19-12/h1-4,6,8,15H,5,7,14H2
InChIKeyINDRHCBHMCDSKC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds4

About 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine

5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine (PubChem CID 106393652) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
PubChem CID106393652
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ncno2)c2cccnc12
InChIInChI=1S/C13H13N5O/c14-10-3-4-11(9-2-1-6-16-13(9)10)15-7-5-12-17-8-18-19-12/h1-4,6,8,15H,5,7,14H2
InChIKeyINDRHCBHMCDSKC-UHFFFAOYSA-N
XLogP1.85
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
3-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]isoquinoline-5,8-diamine
CID 106393818
5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
CID 43449441
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine
CID 83060979
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 106411547
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine?
The IUPAC name of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine (CID 106393652) is 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine.
What is the SMILES notation for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine?
The canonical SMILES for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine is Nc1ccc(NCCc2ncno2)c2cccnc12.
What is the InChIKey of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine?
The InChIKey is INDRHCBHMCDSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-10-3-4-11(9-2-1-6-16-13(9)10)15-7-5-12-17-8-18-19-12/h1-4,6,8,15H,5,7,14H2.
What are the key properties of 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine?
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine has a molecular weight of 255.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine is sourced from PubChem (CID 106393652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).