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

C20H17ClN4O — CID 50754551

IUPACN-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCc1ccc2nc(NCc3ccccc3Cl)c(-c3noc(C)n3)cc2c1
InChIInChI=1S/C20H17ClN4O/c1-12-7-8-18-15(9-12)10-16(20-23-13(2)26-25-20)19(24-18)22-11-14-5-3-4-6-17(14)21/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyOFWJXCWGIZXPHE-UHFFFAOYSA-N
MW364.84 g/mol
LogP5.17
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754551) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754551
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC NameN-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCc1ccc2nc(NCc3ccccc3Cl)c(-c3noc(C)n3)cc2c1
InChIInChI=1S/C20H17ClN4O/c1-12-7-8-18-15(9-12)10-16(20-23-13(2)26-25-20)19(24-18)22-11-14-5-3-4-6-17(14)21/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyOFWJXCWGIZXPHE-UHFFFAOYSA-N
XLogP5.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754551) is N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is Cc1ccc2nc(NCc3ccccc3Cl)c(-c3noc(C)n3)cc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is OFWJXCWGIZXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-12-7-8-18-15(9-12)10-16(20-23-13(2)26-25-20)19(24-18)22-11-14-5-3-4-6-17(14)21/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 364.84 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).