[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone

C24H21F4N3O4 — CID 164798348

IUPAC[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(OC(F)(F)F)c3)cc21
InChIInChI=1S/C24H21F4N3O4/c1-12-21-16(10-34-12)15-8-14(3-5-18(15)30-22(21)29)23(32)31-6-7-33-11-19(31)13-2-4-17(25)20(9-13)35-24(26,27)28/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H2,29,30)/t12-,19-/m1/s1
InChIKeyYLCVAOPVZSUIFZ-CWTRNNRKSA-N
MW491.44 g/mol
LogP4.66
Rot. Bonds3

About [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (PubChem CID 164798348) has the molecular formula C24H21F4N3O4 and a molecular weight of 491.44 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
PubChem CID164798348
Molecular FormulaC24H21F4N3O4
Molecular Weight491.44 g/mol
Exact Mass491.15
IUPAC Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(OC(F)(F)F)c3)cc21
InChIInChI=1S/C24H21F4N3O4/c1-12-21-16(10-34-12)15-8-14(3-5-18(15)30-22(21)29)23(32)31-6-7-33-11-19(31)13-2-4-17(25)20(9-13)35-24(26,27)28/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H2,29,30)/t12-,19-/m1/s1
InChIKeyYLCVAOPVZSUIFZ-CWTRNNRKSA-N
XLogP4.66
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-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)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (CID 164798348) is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(OC(F)(F)F)c3)cc21.
What is the InChIKey of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The InChIKey is YLCVAOPVZSUIFZ-CWTRNNRKSA-N. The full InChI is InChI=1S/C24H21F4N3O4/c1-12-21-16(10-34-12)15-8-14(3-5-18(15)30-22(21)29)23(32)31-6-7-33-11-19(31)13-2-4-17(25)20(9-13)35-24(26,27)28/h2-5,8-9,12,19H,6-7,10-11H2,1H3,(H2,29,30)/t12-,19-/m1/s1.
What are the key properties of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone has a molecular weight of 491.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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)-3-[4-fluoro-3-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).