4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine

C24H27F2N5O4 — CID 155552472

IUPAC4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine
SMILESCOc1ccc2c(ncc3nc(N4CCOCC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C
InChIInChI=1S/C24H27F2N5O4/c1-13(12-34-23(25)26)31-22-16-5-6-18(32-4)20(19-14(2)29-35-15(19)3)21(16)27-11-17(22)28-24(31)30-7-9-33-10-8-30/h5-6,11,13,23H,7-10,12H2,1-4H3/t13-/m1/s1
InChIKeyYPXGJDLHYAOKLM-CYBMUJFWSA-N
MW487.51 g/mol
LogP4.50
Rot. Bonds7

About 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine

4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine (PubChem CID 155552472) has the molecular formula C24H27F2N5O4 and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine
PubChem CID155552472
Molecular FormulaC24H27F2N5O4
Molecular Weight487.51 g/mol
Exact Mass487.20
IUPAC Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine
SMILESCOc1ccc2c(ncc3nc(N4CCOCC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C
InChIInChI=1S/C24H27F2N5O4/c1-13(12-34-23(25)26)31-22-16-5-6-18(32-4)20(19-14(2)29-35-15(19)3)21(16)27-11-17(22)28-24(31)30-7-9-33-10-8-30/h5-6,11,13,23H,7-10,12H2,1-4H3/t13-/m1/s1
InChIKeyYPXGJDLHYAOKLM-CYBMUJFWSA-N
XLogP4.50
TPSA87.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine 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
7-(3,5-Dimethylisoxazol-4-Yl)-8-Methoxy-1-(2-(Trifluoromethoxy)phenyl)-1h-Imidazo[4,5-C][1,5]naphthyridin-2(3h)-One
CID 70664293
Bet-IN-1
CID 71258968
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10790411
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
7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-((R)-1-(pyridin-2-yl)ethyl)-1H-imidazo[4,5-c]quinolin-2-amine
CID 66571469

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine?
The IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine (CID 155552472) is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine is COc1ccc2c(ncc3nc(N4CCOCC4)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]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine?
The InChIKey is YPXGJDLHYAOKLM-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-13(12-34-23(25)26)31-22-16-5-6-18(32-4)20(19-14(2)29-35-15(19)3)21(16)27-11-17(22)28-24(31)30-7-9-33-10-8-30/h5-6,11,13,23H,7-10,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine?
4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine has a molecular weight of 487.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyimidazo[4,5-c]quinolin-2-yl]morpholine is sourced from PubChem (CID 155552472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).