N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine

C13H12N4O — CID 103744283

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
SMILESc1ccc2nc(NCCc3ncno3)ccc2c1
InChIInChI=1S/C13H12N4O/c1-2-4-11-10(3-1)5-6-12(17-11)14-8-7-13-15-9-16-18-13/h1-6,9H,7-8H2,(H,14,17)
InChIKeyWPRLZDDPCNAPPR-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine (PubChem CID 103744283) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
PubChem CID103744283
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
SMILESc1ccc2nc(NCCc3ncno3)ccc2c1
InChIInChI=1S/C13H12N4O/c1-2-4-11-10(3-1)5-6-12(17-11)14-8-7-13-15-9-16-18-13/h1-6,9H,7-8H2,(H,14,17)
InChIKeyWPRLZDDPCNAPPR-UHFFFAOYSA-N
XLogP2.27
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-Phenyl-3-(quinazolin-4-yl)urea
CID 10563562
N-hydroxy-7-(quinazolin-4-ylamino)heptanamide
CID 72545432
N-hydroxy-6-(quinazolin-4-ylamino)hexanamide
CID 72545681
7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide
CID 72545684
7-[(7-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide
CID 137639148
N-[4-(quinazolin-4-ylamino)phenyl]acetamide
CID 725416
5-Ethyl-3-[(4-quinazolin-4-yl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 53591133
N-[4-(3-nitro-1,2,4-triazol-1-yl)butyl]quinazolin-4-amine
CID 145954128
5-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)quinolin-6-yl]pyridin-2-amine
CID 168298351
4-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)quinolin-6-yl]aniline;hydrochloride
CID 168298534
4-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)quinolin-6-yl]aniline
CID 168298535

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine (CID 103744283) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine is c1ccc2nc(NCCc3ncno3)ccc2c1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine?
The InChIKey is WPRLZDDPCNAPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-4-11-10(3-1)5-6-12(17-11)14-8-7-13-15-9-16-18-13/h1-6,9H,7-8H2,(H,14,17).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine is sourced from PubChem (CID 103744283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).