4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole

C25H28F2N4O4 — CID 155514303

IUPAC4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2c(ncc3nc(C4CCOCC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C
InChIInChI=1S/C25H28F2N4O4/c1-13(12-34-25(26)27)31-23-17-5-6-19(32-4)21(20-14(2)30-35-15(20)3)22(17)28-11-18(23)29-24(31)16-7-9-33-10-8-16/h5-6,11,13,16,25H,7-10,12H2,1-4H3/t13-/m1/s1
InChIKeyFUFSWRFUKJLHRC-CYBMUJFWSA-N
MW486.52 g/mol
LogP5.56
Rot. Bonds7

About 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 155514303) has the molecular formula C25H28F2N4O4 and a molecular weight of 486.52 g/mol. Its IUPAC name is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID155514303
Molecular FormulaC25H28F2N4O4
Molecular Weight486.52 g/mol
Exact Mass486.21
IUPAC Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2c(ncc3nc(C4CCOCC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C
InChIInChI=1S/C25H28F2N4O4/c1-13(12-34-25(26)27)31-23-17-5-6-19(32-4)21(20-14(2)30-35-15(20)3)22(17)28-11-18(23)29-24(31)16-7-9-33-10-8-16/h5-6,11,13,16,25H,7-10,12H2,1-4H3/t13-/m1/s1
InChIKeyFUFSWRFUKJLHRC-CYBMUJFWSA-N
XLogP5.56
TPSA84.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-(2-(Methoxymethyl)-1-((R)-1-phenylethyl)-8-((S)-pyrrolidin-3-ylmethoxy)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
CID 146018691
Bet-IN-1
CID 71258968
Dimethyl-carbamic acid 1-dimethylcarbamoyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indol-4-yl ester
CID 10697758
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10790411
Dimethyl-carbamic acid 1-dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indol-4-yl ester
CID 11800214
6-(4-(2-(1-((3,5-Dimethylisoxazol-4-yl)methyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1h-imidazo[4,5-c]pyridine-4-carbonitrile
CID 46842581
7-(3,5-dimethyl-4-isoxazolyl)-8-(methoxy)-1-(2-pyridinylmethyl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinoline
CID 52934042
4-(8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
CID 52934277
7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1-(2-pyridinylmethyl)-1H-imidazo[4,5-c]quinolin-2-amine
CID 66571282
7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)-1H-imidazo[4,5-c]quinolin-2-amine
CID 66571407
7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-2-(4-morpholinyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinoline
CID 66571408
7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-N,N-dimethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazo[4,5-c]quinolin-2-amine
CID 66571468

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 155514303) is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc2c(ncc3nc(C4CCOCC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C.
What is the InChIKey of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FUFSWRFUKJLHRC-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H28F2N4O4/c1-13(12-34-25(26)27)31-23-17-5-6-19(32-4)21(20-14(2)30-35-15(20)3)22(17)28-11-18(23)29-24(31)16-7-9-33-10-8-16/h5-6,11,13,16,25H,7-10,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 486.52 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 155514303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).