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

C21H20N4O — CID 50754510

IUPAC7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine
SMILESCc1ccc2cc(-c3noc(C)n3)c(NC(C)c3ccccc3)nc2c1
InChIInChI=1S/C21H20N4O/c1-13-9-10-17-12-18(21-23-15(3)26-25-21)20(24-19(17)11-13)22-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,22,24)
InChIKeyISCZPKHXEKUUDY-UHFFFAOYSA-N
MW344.42 g/mol
LogP5.07
Rot. Bonds4

About 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine

7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine (PubChem CID 50754510) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine
PubChem CID50754510
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine
SMILESCc1ccc2cc(-c3noc(C)n3)c(NC(C)c3ccccc3)nc2c1
InChIInChI=1S/C21H20N4O/c1-13-9-10-17-12-18(21-23-15(3)26-25-21)20(24-19(17)11-13)22-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,22,24)
InChIKeyISCZPKHXEKUUDY-UHFFFAOYSA-N
XLogP5.07
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754617
7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine
CID 50754562
N-[(3,5-dimethoxyphenyl)methyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754712
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754635
N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754551
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1111822
6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
CID 50748624
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
5-tert-butyl-3-(2-chloro-7-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 97057451
3-(2-ethoxy-7-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 3830668

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine?
The IUPAC name of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine (CID 50754510) is 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine.
What is the SMILES notation for 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine?
The canonical SMILES for 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine is Cc1ccc2cc(-c3noc(C)n3)c(NC(C)c3ccccc3)nc2c1.
What is the InChIKey of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine?
The InChIKey is ISCZPKHXEKUUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-9-10-17-12-18(21-23-15(3)26-25-21)20(24-19(17)11-13)22-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,22,24).
What are the key properties of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine?
7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1-phenylethyl)quinolin-2-amine is sourced from PubChem (CID 50754510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).