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

C26H24F2N4O2 — CID 134169069

IUPAC4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccc3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C26H24F2N4O2/c1-14-10-20-21(11-19(14)23-16(3)31-34-17(23)4)29-12-22-24(20)32(15(2)13-33-26(27)28)25(30-22)18-8-6-5-7-9-18/h5-12,15,26H,13H2,1-4H3/t15-/m0/s1
InChIKeyNVERVXRTLRIVKR-HNNXBMFYSA-N
MW462.50 g/mol
LogP6.63
Rot. Bonds6

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

4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169069) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134169069
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccc3)n([C@@H](C)COC(F)F)c12
InChIInChI=1S/C26H24F2N4O2/c1-14-10-20-21(11-19(14)23-16(3)31-34-17(23)4)29-12-22-24(20)32(15(2)13-33-26(27)28)25(30-22)18-8-6-5-7-9-18/h5-12,15,26H,13H2,1-4H3/t15-/m0/s1
InChIKeyNVERVXRTLRIVKR-HNNXBMFYSA-N
XLogP6.63
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169069) is 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccc3)n([C@@H](C)COC(F)F)c12.
What is the InChIKey of 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NVERVXRTLRIVKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-14-10-20-21(11-19(14)23-16(3)31-34-17(23)4)29-12-22-24(20)32(15(2)13-33-26(27)28)25(30-22)18-8-6-5-7-9-18/h5-12,15,26H,13H2,1-4H3/t15-/m0/s1.
What are the key properties of 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 462.50 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134169069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).