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

C25H29F2N5O3 — CID 134169088

IUPAC4-[[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
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCOCC3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C25H29F2N5O3/c1-14-9-19-20(10-18(14)23-16(3)30-35-17(23)4)28-11-21-24(19)32(15(2)13-34-25(26)27)22(29-21)12-31-5-7-33-8-6-31/h9-11,15,25H,5-8,12-13H2,1-4H3/t15-/m0/s1
InChIKeyFMAVQWSYJFHAAV-HNNXBMFYSA-N
MW485.54 g/mol
LogP4.80
Rot. Bonds7

About 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

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 (PubChem CID 134169088) has the molecular formula C25H29F2N5O3 and a molecular weight of 485.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID134169088
Molecular FormulaC25H29F2N5O3
Molecular Weight485.54 g/mol
Exact Mass485.22
IUPAC Name4-[[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
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCOCC3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C25H29F2N5O3/c1-14-9-19-20(10-18(14)23-16(3)30-35-17(23)4)28-11-21-24(19)32(15(2)13-34-25(26)27)22(29-21)12-31-5-7-33-8-6-31/h9-11,15,25H,5-8,12-13H2,1-4H3/t15-/m0/s1
InChIKeyFMAVQWSYJFHAAV-HNNXBMFYSA-N
XLogP4.80
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCOCC3)n([C@@H](C)COC(F)F)c12.
What is the InChIKey of 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?
The InChIKey is FMAVQWSYJFHAAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H29F2N5O3/c1-14-9-19-20(10-18(14)23-16(3)30-35-17(23)4)28-11-21-24(19)32(15(2)13-34-25(26)27)22(29-21)12-31-5-7-33-8-6-31/h9-11,15,25H,5-8,12-13H2,1-4H3/t15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 485.54 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134169088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).