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

C24H31N5O2 — CID 155563204

IUPAC1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(N[C@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-3-17-6-7-22-18(13-17)14-21(24-25-16(2)28-31-24)23(27-22)29-10-8-19(9-11-29)26-20-5-4-12-30-15-20/h6-7,13-14,19-20,26H,3-5,8-12,15H2,1-2H3/t20-/m0/s1
InChIKeyGEUGRQYYFPZRCQ-FQEVSTJZSA-N
MW421.55 g/mol
LogP3.89
Rot. Bonds5

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

1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine (PubChem CID 155563204) 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-[(3S)-oxan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
PubChem CID155563204
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-[(3S)-oxan-3-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(N[C@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H31N5O2/c1-3-17-6-7-22-18(13-17)14-21(24-25-16(2)28-31-24)23(27-22)29-10-8-19(9-11-29)26-20-5-4-12-30-15-20/h6-7,13-14,19-20,26H,3-5,8-12,15H2,1-2H3/t20-/m0/s1
InChIKeyGEUGRQYYFPZRCQ-FQEVSTJZSA-N
XLogP3.89
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.89
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-[(3S)-oxan-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine (CID 155563204) is 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]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-[(3S)-oxan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine is CCc1ccc2nc(N3CCC(N[C@H]4CCCOC4)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-[(3S)-oxan-3-yl]piperidin-4-amine?
The InChIKey is GEUGRQYYFPZRCQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-3-17-6-7-22-18(13-17)14-21(24-25-16(2)28-31-24)23(27-22)29-10-8-19(9-11-29)26-20-5-4-12-30-15-20/h6-7,13-14,19-20,26H,3-5,8-12,15H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine?
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine has a molecular weight of 421.55 g/mol, XLogP of 3.89, 5 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-[(3S)-oxan-3-yl]piperidin-4-amine is sourced from PubChem (CID 155563204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).