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

C24H31N5O2 — CID 135329122

IUPAC1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(NCC4(C)COC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-4-17-5-6-21-18(11-17)12-20(23-26-16(2)28-31-23)22(27-21)29-9-7-19(8-10-29)25-13-24(3)14-30-15-24/h5-6,11-12,19,25H,4,7-10,13-15H2,1-3H3
InChIKeyMYBQADLXDCDTFA-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.75
Rot. Bonds6

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

1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine (PubChem CID 135329122) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine
PubChem CID135329122
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(NCC4(C)COC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-4-17-5-6-21-18(11-17)12-20(23-26-16(2)28-31-23)22(27-21)29-9-7-19(8-10-29)25-13-24(3)14-30-15-24/h5-6,11-12,19,25H,4,7-10,13-15H2,1-3H3
InChIKeyMYBQADLXDCDTFA-UHFFFAOYSA-N
XLogP3.75
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine (CID 135329122) is 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine is CCc1ccc2nc(N3CCC(NCC4(C)COC4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine?
The InChIKey is MYBQADLXDCDTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-17-5-6-21-18(11-17)12-20(23-26-16(2)28-31-23)22(27-21)29-9-7-19(8-10-29)25-13-24(3)14-30-15-24/h5-6,11-12,19,25H,4,7-10,13-15H2,1-3H3.
What are the key properties of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine?
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine has a molecular weight of 421.55 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 135329122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).