2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine

C19H24N4O — CID 133405040

IUPAC2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
SMILESCCc1cc(NCCCc2nc(C(C)C)no2)c2ccccc2n1
InChIInChI=1S/C19H24N4O/c1-4-14-12-17(15-8-5-6-9-16(15)21-14)20-11-7-10-18-22-19(13(2)3)23-24-18/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21)
InChIKeyZJGJFFWAJOVZPM-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.35
Rot. Bonds7

About 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine

2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine (PubChem CID 133405040) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
PubChem CID133405040
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
SMILESCCc1cc(NCCCc2nc(C(C)C)no2)c2ccccc2n1
InChIInChI=1S/C19H24N4O/c1-4-14-12-17(15-8-5-6-9-16(15)21-14)20-11-7-10-18-22-19(13(2)3)23-24-18/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21)
InChIKeyZJGJFFWAJOVZPM-UHFFFAOYSA-N
XLogP4.35
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133305648
5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
CID 133482477
2-methyl-1-(3-phenylpropyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111198454
6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine
CID 133305631
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]quinolin-4-amine
CID 133401471
5-[(2-ethylquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 133402239
4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one
CID 133305667
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133295619
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 63719237
5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one
CID 133305646
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
The IUPAC name of 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine (CID 133405040) is 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
The canonical SMILES for 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine is CCc1cc(NCCCc2nc(C(C)C)no2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
The InChIKey is ZJGJFFWAJOVZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-14-12-17(15-8-5-6-9-16(15)21-14)20-11-7-10-18-22-19(13(2)3)23-24-18/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine is sourced from PubChem (CID 133405040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).