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

C20H18N4O — CID 50754562

IUPAC7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine
SMILESCc1ccc(Nc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1
InChIInChI=1S/C20H18N4O/c1-12-5-8-16(9-6-12)22-19-17(20-21-14(3)25-24-20)11-15-7-4-13(2)10-18(15)23-19/h4-11H,1-3H3,(H,22,23)
InChIKeySZDAUJBAZPJYHO-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.95
Rot. Bonds3

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

7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine (PubChem CID 50754562) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine
PubChem CID50754562
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine
SMILESCc1ccc(Nc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1
InChIInChI=1S/C20H18N4O/c1-12-5-8-16(9-6-12)22-19-17(20-21-14(3)25-24-20)11-15-7-4-13(2)10-18(15)23-19/h4-11H,1-3H3,(H,22,23)
InChIKeySZDAUJBAZPJYHO-UHFFFAOYSA-N
XLogP4.95
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine?
The IUPAC name of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine (CID 50754562) is 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine.
What is the SMILES notation for 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine?
The canonical SMILES for 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine is Cc1ccc(Nc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1.
What is the InChIKey of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine?
The InChIKey is SZDAUJBAZPJYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-5-8-16(9-6-12)22-19-17(20-21-14(3)25-24-20)11-15-7-4-13(2)10-18(15)23-19/h4-11H,1-3H3,(H,22,23).
What are the key properties of 7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine?
7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)quinolin-2-amine has a molecular weight of 330.39 g/mol, XLogP of 4.95, 3 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-(4-methylphenyl)quinolin-2-amine is sourced from PubChem (CID 50754562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).