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

C21H20N4O2 — CID 50754513

IUPACN-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1ccc(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-5-4-6-16-11-18(21-23-14(2)27-25-21)20(24-19(13)16)22-12-15-7-9-17(26-3)10-8-15/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyRNFHTHFBSDPEPH-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.52
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754513) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754513
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCOc1ccc(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-5-4-6-16-11-18(21-23-14(2)27-25-21)20(24-19(13)16)22-12-15-7-9-17(26-3)10-8-15/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyRNFHTHFBSDPEPH-UHFFFAOYSA-N
XLogP4.52
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754513) is N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is COc1ccc(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is RNFHTHFBSDPEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-5-4-6-16-11-18(21-23-14(2)27-25-21)20(24-19(13)16)22-12-15-7-9-17(26-3)10-8-15/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 360.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).