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

C25H28F2N4O2 — CID 134169068

IUPAC4-[2-cyclopentyl-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(C3CCCC3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C25H28F2N4O2/c1-13-9-19-20(10-18(13)22-15(3)30-33-16(22)4)28-11-21-23(19)31(14(2)12-32-25(26)27)24(29-21)17-7-5-6-8-17/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m0/s1
InChIKeyQOLFADTZCQWXDJ-AWEZNQCLSA-N
MW454.52 g/mol
LogP6.62
Rot. Bonds6

About 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-cyclopentyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169068) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is 4-[2-cyclopentyl-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-cyclopentyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134169068
Molecular FormulaC25H28F2N4O2
Molecular Weight454.52 g/mol
Exact Mass454.22
IUPAC Name4-[2-cyclopentyl-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(C3CCCC3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C25H28F2N4O2/c1-13-9-19-20(10-18(13)22-15(3)30-33-16(22)4)28-11-21-23(19)31(14(2)12-32-25(26)27)24(29-21)17-7-5-6-8-17/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m0/s1
InChIKeyQOLFADTZCQWXDJ-AWEZNQCLSA-N
XLogP6.62
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentyl-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-cyclopentyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169068) is 4-[2-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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(C3CCCC3)n([C@@H](C)COC(F)F)c12.
What is the InChIKey of 4-[2-cyclopentyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is QOLFADTZCQWXDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-13-9-19-20(10-18(13)22-15(3)30-33-16(22)4)28-11-21-23(19)31(14(2)12-32-25(26)27)24(29-21)17-7-5-6-8-17/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m0/s1.
What are the key properties of 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-cyclopentyl-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 454.52 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentyl-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 134169068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).