[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone

C23H23F2N5O4 — CID 164798766

IUPAC[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](c2ccc(OC(F)F)nn2)N1C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C23H23F2N5O4/c1-11-8-32-10-18(17-5-6-19(29-28-17)34-23(24)25)30(11)22(31)13-3-4-16-14(7-13)15-9-33-12(2)20(15)21(26)27-16/h3-7,11-12,18,23H,8-10H2,1-2H3,(H2,26,27)/t11-,12-,18-/m1/s1
InChIKeySUZGIGSNNTUVGJ-SEDUGSJDSA-N
MW471.46 g/mol
LogP3.40
Rot. Bonds4

About [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone (PubChem CID 164798766) has the molecular formula C23H23F2N5O4 and a molecular weight of 471.46 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
PubChem CID164798766
Molecular FormulaC23H23F2N5O4
Molecular Weight471.46 g/mol
Exact Mass471.17
IUPAC Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](c2ccc(OC(F)F)nn2)N1C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C23H23F2N5O4/c1-11-8-32-10-18(17-5-6-19(29-28-17)34-23(24)25)30(11)22(31)13-3-4-16-14(7-13)15-9-33-12(2)20(15)21(26)27-16/h3-7,11-12,18,23H,8-10H2,1-2H3,(H2,26,27)/t11-,12-,18-/m1/s1
InChIKeySUZGIGSNNTUVGJ-SEDUGSJDSA-N
XLogP3.40
TPSA112.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone (CID 164798766) is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone is C[C@@H]1COC[C@H](c2ccc(OC(F)F)nn2)N1C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C.
What is the InChIKey of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
The InChIKey is SUZGIGSNNTUVGJ-SEDUGSJDSA-N. The full InChI is InChI=1S/C23H23F2N5O4/c1-11-8-32-10-18(17-5-6-19(29-28-17)34-23(24)25)30(11)22(31)13-3-4-16-14(7-13)15-9-33-12(2)20(15)21(26)27-16/h3-7,11-12,18,23H,8-10H2,1-2H3,(H2,26,27)/t11-,12-,18-/m1/s1.
What are the key properties of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone has a molecular weight of 471.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 164798766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).