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

C23H24F2N4O2 — CID 134169070

IUPAC4-[2-cyclopropyl-1-[(2S)-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(C3CC3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C23H24F2N4O2/c1-11-7-17-18(8-16(11)20-13(3)28-31-14(20)4)26-9-19-21(17)29(12(2)10-30-23(24)25)22(27-19)15-5-6-15/h7-9,12,15,23H,5-6,10H2,1-4H3/t12-/m0/s1
InChIKeyVINFBNVXLYMGIK-LBPRGKRZSA-N
MW426.47 g/mol
LogP5.84
Rot. Bonds6

About 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-[2-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169070) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[2-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134169070
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name4-[2-cyclopropyl-1-[(2S)-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(C3CC3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C23H24F2N4O2/c1-11-7-17-18(8-16(11)20-13(3)28-31-14(20)4)26-9-19-21(17)29(12(2)10-30-23(24)25)22(27-19)15-5-6-15/h7-9,12,15,23H,5-6,10H2,1-4H3/t12-/m0/s1
InChIKeyVINFBNVXLYMGIK-LBPRGKRZSA-N
XLogP5.84
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-1-[(2S)-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-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169070) is 4-[2-cyclopropyl-1-[(2S)-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-cyclopropyl-1-[(2S)-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-cyclopropyl-1-[(2S)-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(C3CC3)n([C@@H](C)COC(F)F)c12.
What is the InChIKey of 4-[2-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VINFBNVXLYMGIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-11-7-17-18(8-16(11)20-13(3)28-31-14(20)4)26-9-19-21(17)29(12(2)10-30-23(24)25)22(27-19)15-5-6-15/h7-9,12,15,23H,5-6,10H2,1-4H3/t12-/m0/s1.
What are the key properties of 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-[2-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 426.47 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134169070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).