2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide

C19H18F3N5O2 — CID 54759668

IUPAC2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1nnc(-c2cc(C)c3cc(C4CC4)cc(C(F)(F)F)c3n2)o1
InChIInChI=1S/C19H18F3N5O2/c1-9-5-14(17-26-27-18(29-17)24-8-15(28)23-2)25-16-12(9)6-11(10-3-4-10)7-13(16)19(20,21)22/h5-7,10H,3-4,8H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyGZSBLEMCTBYKFX-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.65
Rot. Bonds5

About 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide

2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide (PubChem CID 54759668) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
PubChem CID54759668
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1nnc(-c2cc(C)c3cc(C4CC4)cc(C(F)(F)F)c3n2)o1
InChIInChI=1S/C19H18F3N5O2/c1-9-5-14(17-26-27-18(29-17)24-8-15(28)23-2)25-16-12(9)6-11(10-3-4-10)7-13(16)19(20,21)22/h5-7,10H,3-4,8H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyGZSBLEMCTBYKFX-UHFFFAOYSA-N
XLogP3.65
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide (CID 54759668) is 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide is CNC(=O)CNc1nnc(-c2cc(C)c3cc(C4CC4)cc(C(F)(F)F)c3n2)o1.
What is the InChIKey of 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide?
The InChIKey is GZSBLEMCTBYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-9-5-14(17-26-27-18(29-17)24-8-15(28)23-2)25-16-12(9)6-11(10-3-4-10)7-13(16)19(20,21)22/h5-7,10H,3-4,8H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide?
2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide has a molecular weight of 405.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide is sourced from PubChem (CID 54759668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).