4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C24H25F4N5O2 — CID 134169090

IUPAC4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CC(F)(F)C3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C24H25F4N5O2/c1-12-5-17-18(6-16(12)21-14(3)31-35-15(21)4)29-7-19-22(17)33(13(2)9-34-23(25)26)20(30-19)8-32-10-24(27,28)11-32/h5-7,13,23H,8-11H2,1-4H3/t13-/m1/s1
InChIKeyBDGQETQKVKFOGC-CYBMUJFWSA-N
MW491.49 g/mol
LogP5.42
Rot. Bonds7

About 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169090) has the molecular formula C24H25F4N5O2 and a molecular weight of 491.49 g/mol. Its IUPAC name is 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134169090
Molecular FormulaC24H25F4N5O2
Molecular Weight491.49 g/mol
Exact Mass491.19
IUPAC Name4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CC(F)(F)C3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C24H25F4N5O2/c1-12-5-17-18(6-16(12)21-14(3)31-35-15(21)4)29-7-19-22(17)33(13(2)9-34-23(25)26)20(30-19)8-32-10-24(27,28)11-32/h5-7,13,23H,8-11H2,1-4H3/t13-/m1/s1
InChIKeyBDGQETQKVKFOGC-CYBMUJFWSA-N
XLogP5.42
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]morpholine
CID 134169088
4-[2-cyclopentyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-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-methyl-2-pyridin-3-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158822284
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
CID 164621563
4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 71259053
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554
4-N-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446120
4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446103
4-[2,8-dimethoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122705179
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methyl-3-propan-2-yl-1H-imidazo[4,5-c]quinolin-2-one
CID 90364302
3-[2-[2-[2-[2-[2-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methoxypropan-2-yl)-2-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166694400
3-[2-[2-[2-[2-[2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-methoxypropan-2-yl)imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166694336
4-[8-methoxy-2-(oxan-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663935

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169090) is 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CC(F)(F)C3)n([C@H](C)COC(F)F)c12.
What is the InChIKey of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is BDGQETQKVKFOGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H25F4N5O2/c1-12-5-17-18(6-16(12)21-14(3)31-35-15(21)4)29-7-19-22(17)33(13(2)9-34-23(25)26)20(30-19)8-32-10-24(27,28)11-32/h5-7,13,23H,8-11H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 491.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134169090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).