[(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

C24H21F4N3O3 — CID 164798460

IUPAC[(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
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C24H21F4N3O3/c1-12-21-16(10-34-12)15-8-14(3-5-19(15)30-22(21)29)23(32)31-6-7-33-11-20(31)13-2-4-18(25)17(9-13)24(26,27)28/h2-5,8-9,12,20H,6-7,10-11H2,1H3,(H2,29,30)/t12-,20-/m1/s1
InChIKeyIKNRUISEPSKWHC-MPBGBICISA-N
MW475.44 g/mol
LogP4.78
Rot. Bonds2

About [(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

[(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 (PubChem CID 164798460) has the molecular formula C24H21F4N3O3 and a molecular weight of 475.44 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-(trifluoromethyl)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-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID164798460
Molecular FormulaC24H21F4N3O3
Molecular Weight475.44 g/mol
Exact Mass475.15
IUPAC Name[(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
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C24H21F4N3O3/c1-12-21-16(10-34-12)15-8-14(3-5-19(15)30-22(21)29)23(32)31-6-7-33-11-20(31)13-2-4-18(25)17(9-13)24(26,27)28/h2-5,8-9,12,20H,6-7,10-11H2,1H3,(H2,29,30)/t12-,20-/m1/s1
InChIKeyIKNRUISEPSKWHC-MPBGBICISA-N
XLogP4.78
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798798
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone
CID 164981184
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798528
[(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
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-(4-methylphenyl)morpholin-4-yl]methanone
CID 175509214
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-(difluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798559
[(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
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798430
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(5-bromo-2-pyridinyl)morpholin-4-yl]methanone
CID 164798767
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 164798449
[(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

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-(trifluoromethyl)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-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 164798460) is [(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.
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-(trifluoromethyl)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-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(F)c(C(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-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is IKNRUISEPSKWHC-MPBGBICISA-N. The full InChI is InChI=1S/C24H21F4N3O3/c1-12-21-16(10-34-12)15-8-14(3-5-19(15)30-22(21)29)23(32)31-6-7-33-11-20(31)13-2-4-18(25)17(9-13)24(26,27)28/h2-5,8-9,12,20H,6-7,10-11H2,1H3,(H2,29,30)/t12-,20-/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-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
[(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 has a molecular weight of 475.44 g/mol, XLogP of 4.78, 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)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).