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

C26H28F4N4O3 — CID 155514584

IUPAC4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2c(ncc3nc(C4CCC(F)(F)CC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C
InChIInChI=1S/C26H28F4N4O3/c1-13(12-36-25(27)28)34-23-17-5-6-19(35-4)21(20-14(2)33-37-15(20)3)22(17)31-11-18(23)32-24(34)16-7-9-26(29,30)10-8-16/h5-6,11,13,16,25H,7-10,12H2,1-4H3/t13-/m1/s1
InChIKeyMUCQFYNCCYHSHT-CYBMUJFWSA-N
MW520.53 g/mol
LogP6.96
Rot. Bonds7

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

4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 155514584) has the molecular formula C26H28F4N4O3 and a molecular weight of 520.53 g/mol. Its IUPAC name is 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID155514584
Molecular FormulaC26H28F4N4O3
Molecular Weight520.53 g/mol
Exact Mass520.21
IUPAC Name4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2c(ncc3nc(C4CCC(F)(F)CC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C
InChIInChI=1S/C26H28F4N4O3/c1-13(12-36-25(27)28)34-23-17-5-6-19(35-4)21(20-14(2)33-37-15(20)3)22(17)31-11-18(23)32-24(34)16-7-9-26(29,30)10-8-16/h5-6,11,13,16,25H,7-10,12H2,1-4H3/t13-/m1/s1
InChIKeyMUCQFYNCCYHSHT-CYBMUJFWSA-N
XLogP6.96
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.53
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[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
2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 44426974
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-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 155514584) is 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc2c(ncc3nc(C4CCC(F)(F)CC4)n([C@H](C)COC(F)F)c32)c1-c1c(C)noc1C.
What is the InChIKey of 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is MUCQFYNCCYHSHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C26H28F4N4O3/c1-13(12-36-25(27)28)34-23-17-5-6-19(35-4)21(20-14(2)33-37-15(20)3)22(17)31-11-18(23)32-24(34)16-7-9-26(29,30)10-8-16/h5-6,11,13,16,25H,7-10,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 520.53 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-methoxyimidazo[4,5-c]quinolin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 155514584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).