3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

C18H16ClF2N5O — CID 126682224

IUPAC3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC(F)(F)Cn1c(Cc2noc(C)n2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C18H16ClF2N5O/c1-3-18(20,21)9-26-16(7-15-23-10(2)27-25-15)24-14-8-22-13-5-4-11(19)6-12(13)17(14)26/h4-6,8H,3,7,9H2,1-2H3
InChIKeyNVWUOHZFBMTNIH-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.57
Rot. Bonds5

About 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 126682224) has the molecular formula C18H16ClF2N5O and a molecular weight of 391.81 g/mol. Its IUPAC name is 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID126682224
Molecular FormulaC18H16ClF2N5O
Molecular Weight391.81 g/mol
Exact Mass391.10
IUPAC Name3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC(F)(F)Cn1c(Cc2noc(C)n2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C18H16ClF2N5O/c1-3-18(20,21)9-26-16(7-15-23-10(2)27-25-15)24-14-8-22-13-5-4-11(19)6-12(13)17(14)26/h4-6,8H,3,7,9H2,1-2H3
InChIKeyNVWUOHZFBMTNIH-UHFFFAOYSA-N
XLogP4.57
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 126682224) is 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is CCC(F)(F)Cn1c(Cc2noc(C)n2)nc2cnc3ccc(Cl)cc3c21.
What is the InChIKey of 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is NVWUOHZFBMTNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N5O/c1-3-18(20,21)9-26-16(7-15-23-10(2)27-25-15)24-14-8-22-13-5-4-11(19)6-12(13)17(14)26/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 391.81 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126682224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).