3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

C20H16F5N5O2 — CID 155524160

IUPAC3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2[C@@H]2CCOCC2(F)F)no1
InChIInChI=1S/C20H16F5N5O2/c1-10-27-16(29-32-10)7-17-28-14-8-26-13-3-2-11(20(23,24)25)6-12(13)18(14)30(17)15-4-5-31-9-19(15,21)22/h2-3,6,8,15H,4-5,7,9H2,1H3/t15-/m1/s1
InChIKeyJJAPZYWSOVPXMJ-OAHLLOKOSA-N
MW453.37 g/mol
LogP4.48
Rot. Bonds3

About 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 155524160) has the molecular formula C20H16F5N5O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID155524160
Molecular FormulaC20H16F5N5O2
Molecular Weight453.37 g/mol
Exact Mass453.12
IUPAC Name3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2[C@@H]2CCOCC2(F)F)no1
InChIInChI=1S/C20H16F5N5O2/c1-10-27-16(29-32-10)7-17-28-14-8-26-13-3-2-11(20(23,24)25)6-12(13)18(14)30(17)15-4-5-31-9-19(15,21)22/h2-3,6,8,15H,4-5,7,9H2,1H3/t15-/m1/s1
InChIKeyJJAPZYWSOVPXMJ-OAHLLOKOSA-N
XLogP4.48
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 155524160) is 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2[C@@H]2CCOCC2(F)F)no1.
What is the InChIKey of 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is JJAPZYWSOVPXMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16F5N5O2/c1-10-27-16(29-32-10)7-17-28-14-8-26-13-3-2-11(20(23,24)25)6-12(13)18(14)30(17)15-4-5-31-9-19(15,21)22/h2-3,6,8,15H,4-5,7,9H2,1H3/t15-/m1/s1.
What are the key properties of 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 453.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4R)-3,3-difluorooxan-4-yl]-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 155524160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).