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

C25H29F2N5O2 — CID 134169071

IUPAC4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCCC3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H29F2N5O2/c1-14-9-19-20(10-18(14)23-16(3)30-34-17(23)4)28-11-21-24(19)32(15(2)13-33-25(26)27)22(29-21)12-31-7-5-6-8-31/h9-11,15,25H,5-8,12-13H2,1-4H3/t15-/m1/s1
InChIKeyMVJBSSFJZPKDJR-OAHLLOKOSA-N
MW469.54 g/mol
LogP5.56
Rot. Bonds7

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

4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169071) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[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-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134169071
Molecular FormulaC25H29F2N5O2
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC Name4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCCC3)n([C@H](C)COC(F)F)c12
InChIInChI=1S/C25H29F2N5O2/c1-14-9-19-20(10-18(14)23-16(3)30-34-17(23)4)28-11-21-24(19)32(15(2)13-33-25(26)27)22(29-21)12-31-7-5-6-8-31/h9-11,15,25H,5-8,12-13H2,1-4H3/t15-/m1/s1
InChIKeyMVJBSSFJZPKDJR-OAHLLOKOSA-N
XLogP5.56
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[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-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169071) is 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[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-(pyrrolidin-1-ylmethyl)imidazo[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-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCCC3)n([C@H](C)COC(F)F)c12.
What is the InChIKey of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is MVJBSSFJZPKDJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c1-14-9-19-20(10-18(14)23-16(3)30-34-17(23)4)28-11-21-24(19)32(15(2)13-33-25(26)27)22(29-21)12-31-7-5-6-8-31/h9-11,15,25H,5-8,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 469.54 g/mol, XLogP of 5.56, 7 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-(pyrrolidin-1-ylmethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134169071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).