8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine

C21H20N4O — CID 50748577

IUPAC8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine
SMILESCc1nc(-c2cc3cccc(C)c3nc2NCCc2ccccc2)no1
InChIInChI=1S/C21H20N4O/c1-14-7-6-10-17-13-18(21-23-15(2)26-25-21)20(24-19(14)17)22-12-11-16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyJQZGLFQMRNTASU-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.56
Rot. Bonds5

About 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine

8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine (PubChem CID 50748577) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine.

Molecular Properties

Compound Name8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine
PubChem CID50748577
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine
SMILESCc1nc(-c2cc3cccc(C)c3nc2NCCc2ccccc2)no1
InChIInChI=1S/C21H20N4O/c1-14-7-6-10-17-13-18(21-23-15(2)26-25-21)20(24-19(14)17)22-12-11-16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyJQZGLFQMRNTASU-UHFFFAOYSA-N
XLogP4.56
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine
CID 50754639
N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754513
8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754502
8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754481
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754635
N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754610
N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754567
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
CID 23613832
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3782941
3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
CID 2002514

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine?
The IUPAC name of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine (CID 50748577) is 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine.
What is the SMILES notation for 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine?
The canonical SMILES for 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine is Cc1nc(-c2cc3cccc(C)c3nc2NCCc2ccccc2)no1.
What is the InChIKey of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine?
The InChIKey is JQZGLFQMRNTASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-7-6-10-17-13-18(21-23-15(2)26-25-21)20(24-19(14)17)22-12-11-16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine?
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine is sourced from PubChem (CID 50748577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).