N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

C23H24N4O2 — CID 50754465

About N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754465) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
• PubChem CID: 50754465
• Molecular Formula: C23H24N4O2
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.19
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
• SMILES: COc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C(C)C)n2)c1
• InChI: InChI=1S/C23H24N4O2/c1-14(2)23-26-22(27-29-23)19-12-17-10-15(3)8-9-20(17)25-21(19)24-13-16-6-5-7-18(11-16)28-4/h5-12,14H,13H2,1-4H3,(H,24,25)
• InChIKey: QNFQUZAXIXLDNQ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 73.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754465) is N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is COc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C(C)C)n2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?

The InChIKey is QNFQUZAXIXLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)23-26-22(27-29-23)19-12-17-10-15(3)8-9-20(17)25-21(19)24-13-16-6-5-7-18(11-16)28-4/h5-12,14H,13H2,1-4H3,(H,24,25).

What are the key properties of N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?

N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 388.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-6-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).