1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C20H19N5O2 — CID 25380936

IUPAC1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(-c3ccccn3)no2)c2cccnc12
InChIInChI=1S/C20H19N5O2/c1-25(13-18-23-20(24-27-18)16-7-3-4-10-21-16)12-14-8-9-17(26-2)19-15(14)6-5-11-22-19/h3-11H,12-13H2,1-2H3
InChIKeyQHRXXBZOWFESBL-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.32
Rot. Bonds6

About 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 25380936) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID25380936
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(-c3ccccn3)no2)c2cccnc12
InChIInChI=1S/C20H19N5O2/c1-25(13-18-23-20(24-27-18)16-7-3-4-10-21-16)12-14-8-9-17(26-2)19-15(14)6-5-11-22-19/h3-11H,12-13H2,1-2H3
InChIKeyQHRXXBZOWFESBL-UHFFFAOYSA-N
XLogP3.32
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 25380936) is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is COc1ccc(CN(C)Cc2nc(-c3ccccn3)no2)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is QHRXXBZOWFESBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(13-18-23-20(24-27-18)16-7-3-4-10-21-16)12-14-8-9-17(26-2)19-15(14)6-5-11-22-19/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 361.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 25380936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).