1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine

C19H22FN5O — CID 142432260

IUPAC1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCCc1cc2cc(-c3nc(C)no3)c(N3CCC(N)CC3)nc2cc1F
InChIInChI=1S/C19H22FN5O/c1-3-12-8-13-9-15(19-22-11(2)24-26-19)18(23-17(13)10-16(12)20)25-6-4-14(21)5-7-25/h8-10,14H,3-7,21H2,1-2H3
InChIKeyDMOPNCYFJGDECT-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.22
Rot. Bonds3

About 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine

1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 142432260) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID142432260
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCCc1cc2cc(-c3nc(C)no3)c(N3CCC(N)CC3)nc2cc1F
InChIInChI=1S/C19H22FN5O/c1-3-12-8-13-9-15(19-22-11(2)24-26-19)18(23-17(13)10-16(12)20)25-6-4-14(21)5-7-25/h8-10,14H,3-7,21H2,1-2H3
InChIKeyDMOPNCYFJGDECT-UHFFFAOYSA-N
XLogP3.22
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (CID 142432260) is 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is CCc1cc2cc(-c3nc(C)no3)c(N3CCC(N)CC3)nc2cc1F.
What is the InChIKey of 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is DMOPNCYFJGDECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-3-12-8-13-9-15(19-22-11(2)24-26-19)18(23-17(13)10-16(12)20)25-6-4-14(21)5-7-25/h8-10,14H,3-7,21H2,1-2H3.
What are the key properties of 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 355.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 142432260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).