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

C23H25F4N5O3 — CID 135329110

IUPAC1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(NC4CCOC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1
InChIInChI=1S/C23H25F4N5O3/c1-12-17-9-16(34-23(25,26)27)10-18(24)20(17)30-21(19(12)22-28-13(2)31-35-22)32-6-3-14(4-7-32)29-15-5-8-33-11-15/h9-10,14-15,29H,3-8,11H2,1-2H3
InChIKeyHDDHYPLJEZURQM-UHFFFAOYSA-N
MW495.48 g/mol
LogP4.29
Rot. Bonds5

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

1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine (PubChem CID 135329110) has the molecular formula C23H25F4N5O3 and a molecular weight of 495.48 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-(oxolan-3-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-(oxolan-3-yl)piperidin-4-amine
PubChem CID135329110
Molecular FormulaC23H25F4N5O3
Molecular Weight495.48 g/mol
Exact Mass495.19
IUPAC Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(NC4CCOC4)CC3)nc3c(F)cc(OC(F)(F)F)cc3c2C)n1
InChIInChI=1S/C23H25F4N5O3/c1-12-17-9-16(34-23(25,26)27)10-18(24)20(17)30-21(19(12)22-28-13(2)31-35-22)32-6-3-14(4-7-32)29-15-5-8-33-11-15/h9-10,14-15,29H,3-8,11H2,1-2H3
InChIKeyHDDHYPLJEZURQM-UHFFFAOYSA-N
XLogP4.29
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(oxolan-3-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-(oxolan-3-yl)piperidin-4-amine (CID 135329110) is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxolan-3-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-(oxolan-3-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-(oxolan-3-yl)piperidin-4-amine is Cc1noc(-c2c(N3CCC(NC4CCOC4)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-(oxolan-3-yl)piperidin-4-amine?
The InChIKey is HDDHYPLJEZURQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N5O3/c1-12-17-9-16(34-23(25,26)27)10-18(24)20(17)30-21(19(12)22-28-13(2)31-35-22)32-6-3-14(4-7-32)29-15-5-8-33-11-15/h9-10,14-15,29H,3-8,11H2,1-2H3.
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-(oxolan-3-yl)piperidin-4-amine?
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine has a molecular weight of 495.48 g/mol, XLogP of 4.29, 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-(oxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 135329110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).