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

C25H31F2N5O2 — CID 137434249

IUPAC1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(CCF)cc3c2C)n1
InChIInChI=1S/C25H31F2N5O2/c1-15-20-13-17(3-8-26)14-21(27)23(20)30-24(22(15)25-28-16(2)31-34-25)32-9-4-18(5-10-32)29-19-6-11-33-12-7-19/h13-14,18-19,29H,3-12H2,1-2H3
InChIKeyDGDZOENRKZRBDP-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.29
Rot. Bonds6

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

1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 137434249) has the molecular formula C25H31F2N5O2 and a molecular weight of 471.55 g/mol. Its IUPAC name is 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID137434249
Molecular FormulaC25H31F2N5O2
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Name1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(CCF)cc3c2C)n1
InChIInChI=1S/C25H31F2N5O2/c1-15-20-13-17(3-8-26)14-21(27)23(20)30-24(22(15)25-28-16(2)31-34-25)32-9-4-18(5-10-32)29-19-6-11-33-12-7-19/h13-14,18-19,29H,3-12H2,1-2H3
InChIKeyDGDZOENRKZRBDP-UHFFFAOYSA-N
XLogP4.29
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 137434249) is 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(CCF)cc3c2C)n1.
What is the InChIKey of 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is DGDZOENRKZRBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N5O2/c1-15-20-13-17(3-8-26)14-21(27)23(20)30-24(22(15)25-28-16(2)31-34-25)32-9-4-18(5-10-32)29-19-6-11-33-12-7-19/h13-14,18-19,29H,3-12H2,1-2H3.
What are the key properties of 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 471.55 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-6-(2-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 137434249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).