[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone

C25H23F4N3O3 — CID 164798658

IUPAC[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](c2ccc(C(F)(F)F)cc2F)N1C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C25H23F4N3O3/c1-12-9-34-11-21(16-5-4-15(8-19(16)26)25(27,28)29)32(12)24(33)14-3-6-20-17(7-14)18-10-35-13(2)22(18)23(30)31-20/h3-8,12-13,21H,9-11H2,1-2H3,(H2,30,31)/t12-,13-,21-/m1/s1
InChIKeyUBHGHPQLPNSHPF-SQHYZVFZSA-N
MW489.47 g/mol
LogP5.17
Rot. Bonds2

About [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone (PubChem CID 164798658) has the molecular formula C25H23F4N3O3 and a molecular weight of 489.47 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone
PubChem CID164798658
Molecular FormulaC25H23F4N3O3
Molecular Weight489.47 g/mol
Exact Mass489.17
IUPAC Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](c2ccc(C(F)(F)F)cc2F)N1C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C25H23F4N3O3/c1-12-9-34-11-21(16-5-4-15(8-19(16)26)25(27,28)29)32(12)24(33)14-3-6-20-17(7-14)18-10-35-13(2)22(18)23(30)31-20/h3-8,12-13,21H,9-11H2,1-2H3,(H2,30,31)/t12-,13-,21-/m1/s1
InChIKeyUBHGHPQLPNSHPF-SQHYZVFZSA-N
XLogP5.17
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[(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
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798460
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798367
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798544
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-chloro-3-pyridinyl)-5-methylmorpholin-4-yl]methanone
CID 164798711
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3R,5S)-3-(6-chloro-3-pyridinyl)-5-methylmorpholin-4-yl]methanone
CID 164798478
(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175745662
(3R)-4-amino-N-cyclobutyl-7-fluoro-3-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170429800
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798589
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
CID 164798694
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798672
(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382856

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-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone (CID 164798658) is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone is C[C@@H]1COC[C@H](c2ccc(C(F)(F)F)cc2F)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-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone?
The InChIKey is UBHGHPQLPNSHPF-SQHYZVFZSA-N. The full InChI is InChI=1S/C25H23F4N3O3/c1-12-9-34-11-21(16-5-4-15(8-19(16)26)25(27,28)29)32(12)24(33)14-3-6-20-17(7-14)18-10-35-13(2)22(18)23(30)31-20/h3-8,12-13,21H,9-11H2,1-2H3,(H2,30,31)/t12-,13-,21-/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-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone?
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,5R)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone has a molecular weight of 489.47 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 164798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).