4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C25H23F2N5O3 — CID 122446122

IUPAC4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccn3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H23F2N5O3/c1-13(12-34-25(26)27)32-23-16-10-21(33-4)17(22-14(2)31-35-15(22)3)9-19(16)29-11-20(23)30-24(32)18-7-5-6-8-28-18/h5-11,13,25H,12H2,1-4H3/t13-/m1/s1
InChIKeyRWJPHGBQNDJSPD-CYBMUJFWSA-N
MW479.49 g/mol
LogP5.73
Rot. Bonds7

About 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 122446122) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID122446122
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccn3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H23F2N5O3/c1-13(12-34-25(26)27)32-23-16-10-21(33-4)17(22-14(2)31-35-15(22)3)9-19(16)29-11-20(23)30-24(32)18-7-5-6-8-28-18/h5-11,13,25H,12H2,1-4H3/t13-/m1/s1
InChIKeyRWJPHGBQNDJSPD-CYBMUJFWSA-N
XLogP5.73
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

I-Bet151
CID 52912189
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
4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido(4,5-b)indol-7-yl)-3,5-dimethylisoxazole
CID 90395752
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-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395619
4-[4-(5-fluoro-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 145966193
4-[4-(5-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 145974859
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10790411
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-phenylethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52932634
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52934039
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 52934040

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 122446122) is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccn3)n([C@H](C)COC(F)F)c12.
What is the InChIKey of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RWJPHGBQNDJSPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-13(12-34-25(26)27)32-23-16-10-21(33-4)17(22-14(2)31-35-15(22)3)9-19(16)29-11-20(23)30-24(32)18-7-5-6-8-28-18/h5-11,13,25H,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 479.49 g/mol, XLogP of 5.73, 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]-8-methoxy-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 122446122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).