3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine

C17H18N4O2 — CID 50748658

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
SMILESCc1nc(-c2cc3ccccc3nc2NCC2CCCO2)no1
InChIInChI=1S/C17H18N4O2/c1-11-19-17(21-23-11)14-9-12-5-2-3-7-15(12)20-16(14)18-10-13-6-4-8-22-13/h2-3,5,7,9,13H,4,6,8,10H2,1H3,(H,18,20)
InChIKeyXZYLUDWCUNHGRZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.18
Rot. Bonds4

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine (PubChem CID 50748658) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
PubChem CID50748658
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
SMILESCc1nc(-c2cc3ccccc3nc2NCC2CCCO2)no1
InChIInChI=1S/C17H18N4O2/c1-11-19-17(21-23-11)14-9-12-5-2-3-7-15(12)20-16(14)18-10-13-6-4-8-22-13/h2-3,5,7,9,13H,4,6,8,10H2,1H3,(H,18,20)
InChIKeyXZYLUDWCUNHGRZ-UHFFFAOYSA-N
XLogP3.18
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine (CID 50748658) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine is Cc1nc(-c2cc3ccccc3nc2NCC2CCCO2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
The InChIKey is XZYLUDWCUNHGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-19-17(21-23-11)14-9-12-5-2-3-7-15(12)20-16(14)18-10-13-6-4-8-22-13/h2-3,5,7,9,13H,4,6,8,10H2,1H3,(H,18,20).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 50748658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).