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

C22H26FN5O3 — CID 137434460

IUPAC1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine
SMILESCOc1cc(F)c2nc(N3CCC(NC4COC4)CC3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C22H26FN5O3/c1-12-17-8-16(29-3)9-18(23)20(17)26-21(19(12)22-24-13(2)27-31-22)28-6-4-14(5-7-28)25-15-10-30-11-15/h8-9,14-15,25H,4-7,10-11H2,1-3H3
InChIKeyWFRQQOURAAOAMZ-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.01
Rot. Bonds5

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

1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine (PubChem CID 137434460) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine
PubChem CID137434460
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine
SMILESCOc1cc(F)c2nc(N3CCC(NC4COC4)CC3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C22H26FN5O3/c1-12-17-8-16(29-3)9-18(23)20(17)26-21(19(12)22-24-13(2)27-31-22)28-6-4-14(5-7-28)25-15-10-30-11-15/h8-9,14-15,25H,4-7,10-11H2,1-3H3
InChIKeyWFRQQOURAAOAMZ-UHFFFAOYSA-N
XLogP3.01
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine?
The IUPAC name of 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine (CID 137434460) is 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine is COc1cc(F)c2nc(N3CCC(NC4COC4)CC3)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine?
The InChIKey is WFRQQOURAAOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-12-17-8-16(29-3)9-18(23)20(17)26-21(19(12)22-24-13(2)27-31-22)28-6-4-14(5-7-28)25-15-10-30-11-15/h8-9,14-15,25H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine?
1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine has a molecular weight of 427.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxetan-3-yl)piperidin-4-amine is sourced from PubChem (CID 137434460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).