3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole

C15H10ClFN4O — CID 145275401

IUPAC3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole
SMILESCn1c(C(F)c2ccon2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C15H10ClFN4O/c1-21-14-9-6-8(16)2-3-10(9)18-7-12(14)19-15(21)13(17)11-4-5-22-20-11/h2-7,13H,1H3
InChIKeyNQBDVWXNKKWOIM-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.82
Rot. Bonds2

About 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole

3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole (PubChem CID 145275401) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole
PubChem CID145275401
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole
SMILESCn1c(C(F)c2ccon2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C15H10ClFN4O/c1-21-14-9-6-8(16)2-3-10(9)18-7-12(14)19-15(21)13(17)11-4-5-22-20-11/h2-7,13H,1H3
InChIKeyNQBDVWXNKKWOIM-UHFFFAOYSA-N
XLogP3.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 126682224
8-chloro-1-(2-chlorophenyl)-2-methylimidazo[4,5-c]quinoline
CID 10381814
8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline
CID 145275483
8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane
CID 145275425
8-chloro-1-(3-methylphenyl)imidazo[4,5-c]quinoline
CID 175243886
8-chloro-1-(2-chlorophenyl)imidazo[4,5-c]quinoline
CID 10448328
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 126712399
3-[[8-chloro-1-[(4S)-3,3-difluorooxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2-oxazole
CID 142423810
[(2S,4R)-4-[8-chloro-2-(3,3-difluorocyclobutyl)imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 146339314
6-chloro-4-propan-2-ylquinolin-3-amine
CID 105476883
1-(6-chloro-4-methylquinolin-3-yl)ethanone
CID 175943366

Frequently Asked Questions

What is the IUPAC name of 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole?
The IUPAC name of 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole (CID 145275401) is 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole.
What is the SMILES notation for 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole?
The canonical SMILES for 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole is Cn1c(C(F)c2ccon2)nc2cnc3ccc(Cl)cc3c21.
What is the InChIKey of 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole?
The InChIKey is NQBDVWXNKKWOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c1-21-14-9-6-8(16)2-3-10(9)18-7-12(14)19-15(21)13(17)11-4-5-22-20-11/h2-7,13H,1H3.
What are the key properties of 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole?
3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole has a molecular weight of 316.72 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole is sourced from PubChem (CID 145275401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).