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

C25H28F2N4O3 — CID 134169066

IUPAC4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H28F2N4O3/c1-13-9-19-20(10-18(13)22-15(3)30-34-16(22)4)28-11-21-23(19)31(14(2)12-33-25(26)27)24(29-21)17-5-7-32-8-6-17/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m1/s1
InChIKeyRRIFSYHKABCOJZ-CQSZACIVSA-N
MW470.52 g/mol
LogP5.86
Rot. Bonds6

About 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-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-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169066) has the molecular formula C25H28F2N4O3 and a molecular weight of 470.52 g/mol. Its IUPAC name is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-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-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134169066
Molecular FormulaC25H28F2N4O3
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H28F2N4O3/c1-13-9-19-20(10-18(13)22-15(3)30-34-16(22)4)28-11-21-23(19)31(14(2)12-33-25(26)27)24(29-21)17-5-7-32-8-6-17/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m1/s1
InChIKeyRRIFSYHKABCOJZ-CQSZACIVSA-N
XLogP5.86
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-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-methyl-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-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169066) is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-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-methyl-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-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc2c(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-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RRIFSYHKABCOJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H28F2N4O3/c1-13-9-19-20(10-18(13)22-15(3)30-34-16(22)4)28-11-21-23(19)31(14(2)12-33-25(26)27)24(29-21)17-5-7-32-8-6-17/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-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-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 470.52 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134169066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).