1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

C24H31N5O2 — CID 129252264

IUPAC1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1cc(C)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-15-12-16(2)22-18(13-15)14-21(24-25-17(3)28-31-24)23(27-22)29-8-4-19(5-9-29)26-20-6-10-30-11-7-20/h12-14,19-20,26H,4-11H2,1-3H3
InChIKeyUNOXTBULNZPNJX-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.95
Rot. Bonds4

About 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 129252264) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID129252264
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1cc(C)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-15-12-16(2)22-18(13-15)14-21(24-25-17(3)28-31-24)23(27-22)29-8-4-19(5-9-29)26-20-6-10-30-11-7-20/h12-14,19-20,26H,4-11H2,1-3H3
InChIKeyUNOXTBULNZPNJX-UHFFFAOYSA-N
XLogP3.95
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 129252264) is 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is Cc1cc(C)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is UNOXTBULNZPNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-15-12-16(2)22-18(13-15)14-21(24-25-17(3)28-31-24)23(27-22)29-8-4-19(5-9-29)26-20-6-10-30-11-7-20/h12-14,19-20,26H,4-11H2,1-3H3.
What are the key properties of 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 421.55 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 129252264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).