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

C25H23F2N5O2 — CID 134169067

IUPAC4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccn3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H23F2N5O2/c1-13-9-18-20(10-17(13)22-15(3)31-34-16(22)4)29-11-21-23(18)32(14(2)12-33-25(26)27)24(30-21)19-7-5-6-8-28-19/h5-11,14,25H,12H2,1-4H3/t14-/m1/s1
InChIKeyBYKXQWIPCBQNLJ-CQSZACIVSA-N
MW463.49 g/mol
LogP6.03
Rot. Bonds6

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

4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169067) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134169067
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccn3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H23F2N5O2/c1-13-9-18-20(10-17(13)22-15(3)31-34-16(22)4)29-11-21-23(18)32(14(2)12-33-25(26)27)24(30-21)19-7-5-6-8-28-19/h5-11,14,25H,12H2,1-4H3/t14-/m1/s1
InChIKeyBYKXQWIPCBQNLJ-CQSZACIVSA-N
XLogP6.03
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169067) is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[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-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccn3)n([C@H](C)COC(F)F)c12.
What is the InChIKey of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is BYKXQWIPCBQNLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-13-9-18-20(10-17(13)22-15(3)31-34-16(22)4)29-11-21-23(18)32(14(2)12-33-25(26)27)24(30-21)19-7-5-6-8-28-19/h5-11,14,25H,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 463.49 g/mol, XLogP of 6.03, 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-pyridin-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134169067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).