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

C24H27F4N5O3 — CID 135329117

IUPAC1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1
InChIInChI=1S/C24H27F4N5O3/c1-13-18-11-17(35-24(26,27)28)12-19(25)21(18)31-22(20(13)23-29-14(2)32-36-23)33-7-3-15(4-8-33)30-16-5-9-34-10-6-16/h11-12,15-16,30H,3-10H2,1-2H3
InChIKeyGIUMQDWNKNKJPF-UHFFFAOYSA-N
MW509.50 g/mol
LogP4.68
Rot. Bonds5

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

1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 135329117) has the molecular formula C24H27F4N5O3 and a molecular weight of 509.50 g/mol. Its IUPAC name is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID135329117
Molecular FormulaC24H27F4N5O3
Molecular Weight509.50 g/mol
Exact Mass509.21
IUPAC Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1
InChIInChI=1S/C24H27F4N5O3/c1-13-18-11-17(35-24(26,27)28)12-19(25)21(18)31-22(20(13)23-29-14(2)32-36-23)33-7-3-15(4-8-33)30-16-5-9-34-10-6-16/h11-12,15-16,30H,3-10H2,1-2H3
InChIKeyGIUMQDWNKNKJPF-UHFFFAOYSA-N
XLogP4.68
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 135329117) is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1.
What is the InChIKey of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is GIUMQDWNKNKJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N5O3/c1-13-18-11-17(35-24(26,27)28)12-19(25)21(18)31-22(20(13)23-29-14(2)32-36-23)33-7-3-15(4-8-33)30-16-5-9-34-10-6-16/h11-12,15-16,30H,3-10H2,1-2H3.
What are the key properties of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 509.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 135329117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).