1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine

C22H25F2N5O2 — CID 134169077

IUPAC1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine
SMILESCNCc1nc2cnc3cc(-c4c(C)noc4C)c(C)cc3c2n1[C@H](C)COC(F)F
InChIInChI=1S/C22H25F2N5O2/c1-11-6-16-17(7-15(11)20-13(3)28-31-14(20)4)26-8-18-21(16)29(19(27-18)9-25-5)12(2)10-30-22(23)24/h6-8,12,22,25H,9-10H2,1-5H3/t12-/m1/s1
InChIKeyVLWVOPDIXGVGPC-GFCCVEGCSA-N
MW429.47 g/mol
LogP4.68
Rot. Bonds7

About 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine

1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine (PubChem CID 134169077) has the molecular formula C22H25F2N5O2 and a molecular weight of 429.47 g/mol. Its IUPAC name is 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine
PubChem CID134169077
Molecular FormulaC22H25F2N5O2
Molecular Weight429.47 g/mol
Exact Mass429.20
IUPAC Name1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine
SMILESCNCc1nc2cnc3cc(-c4c(C)noc4C)c(C)cc3c2n1[C@H](C)COC(F)F
InChIInChI=1S/C22H25F2N5O2/c1-11-6-16-17(7-15(11)20-13(3)28-31-14(20)4)26-8-18-21(16)29(19(27-18)9-25-5)12(2)10-30-22(23)24/h6-8,12,22,25H,9-10H2,1-5H3/t12-/m1/s1
InChIKeyVLWVOPDIXGVGPC-GFCCVEGCSA-N
XLogP4.68
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine (CID 134169077) is 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine is CNCc1nc2cnc3cc(-c4c(C)noc4C)c(C)cc3c2n1[C@H](C)COC(F)F.
What is the InChIKey of 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?
The InChIKey is VLWVOPDIXGVGPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H25F2N5O2/c1-11-6-16-17(7-15(11)20-13(3)28-31-14(20)4)26-8-18-21(16)29(19(27-18)9-25-5)12(2)10-30-22(23)24/h6-8,12,22,25H,9-10H2,1-5H3/t12-/m1/s1.
What are the key properties of 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?
1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine has a molecular weight of 429.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 134169077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).