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

C25H28F2N4O4 — CID 122446081

IUPAC4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H28F2N4O4/c1-13(12-34-25(26)27)31-23-17-10-21(32-4)18(22-14(2)30-35-15(22)3)9-19(17)28-11-20(23)29-24(31)16-5-7-33-8-6-16/h9-11,13,16,25H,5-8,12H2,1-4H3/t13-/m1/s1
InChIKeyZARRSRJYONPXSO-CYBMUJFWSA-N
MW486.52 g/mol
LogP5.56
Rot. Bonds7

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

4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 122446081) 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]-8-methoxy-2-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID122446081
Molecular FormulaC25H28F2N4O4
Molecular Weight486.52 g/mol
Exact Mass486.21
IUPAC Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H28F2N4O4/c1-13(12-34-25(26)27)31-23-17-10-21(32-4)18(22-14(2)30-35-15(22)3)9-19(17)28-11-20(23)29-24(31)16-5-7-33-8-6-16/h9-11,13,16,25H,5-8,12H2,1-4H3/t13-/m1/s1
InChIKeyZARRSRJYONPXSO-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]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 122446081) is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)COC(F)F)c12.
What is the InChIKey of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZARRSRJYONPXSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H28F2N4O4/c1-13(12-34-25(26)27)31-23-17-10-21(32-4)18(22-14(2)30-35-15(22)3)9-19(17)28-11-20(23)29-24(31)16-5-7-33-8-6-16/h9-11,13,16,25H,5-8,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-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]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 122446081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).