1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine

C23H28FN5O2 — CID 135329090

IUPAC1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
SMILESCCc1cc(F)c2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H28FN5O2/c1-3-15-10-16-12-19(23-25-14(2)28-31-23)22(27-21(16)20(24)11-15)29-7-4-17(5-8-29)26-18-6-9-30-13-18/h10-12,17-18,26H,3-9,13H2,1-2H3/t18-/m0/s1
InChIKeyMUONIRNLLGRCTP-SFHVURJKSA-N
MW425.51 g/mol
LogP3.64
Rot. Bonds5

About 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine

1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine (PubChem CID 135329090) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
PubChem CID135329090
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
SMILESCCc1cc(F)c2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C23H28FN5O2/c1-3-15-10-16-12-19(23-25-14(2)28-31-23)22(27-21(16)20(24)11-15)29-7-4-17(5-8-29)26-18-6-9-30-13-18/h10-12,17-18,26H,3-9,13H2,1-2H3/t18-/m0/s1
InChIKeyMUONIRNLLGRCTP-SFHVURJKSA-N
XLogP3.64
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine (CID 135329090) is 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine is CCc1cc(F)c2nc(N3CCC(N[C@H]4CCOC4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
The InChIKey is MUONIRNLLGRCTP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-3-15-10-16-12-19(23-25-14(2)28-31-23)22(27-21(16)20(24)11-15)29-7-4-17(5-8-29)26-18-6-9-30-13-18/h10-12,17-18,26H,3-9,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine?
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 425.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 135329090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).