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

C24H22F3N3O4 — CID 164798430

IUPAC(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3nc(N)c4c(c3c2)COC4)[C@@H](c2ccc(OC(F)(F)F)cc2)CO1
InChIInChI=1S/C24H22F3N3O4/c1-13-9-30(21(12-33-13)14-2-5-16(6-3-14)34-24(25,26)27)23(31)15-4-7-20-17(8-15)18-10-32-11-19(18)22(28)29-20/h2-8,13,21H,9-12H2,1H3,(H2,28,29)/t13-,21-/m1/s1
InChIKeyJJWSWTVYSOASDF-LRTDBIEQSA-N
MW473.45 g/mol
LogP4.35
Rot. Bonds3

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

(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (PubChem CID 164798430) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
PubChem CID164798430
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Name(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3nc(N)c4c(c3c2)COC4)[C@@H](c2ccc(OC(F)(F)F)cc2)CO1
InChIInChI=1S/C24H22F3N3O4/c1-13-9-30(21(12-33-13)14-2-5-16(6-3-14)34-24(25,26)27)23(31)15-4-7-20-17(8-15)18-10-32-11-19(18)22(28)29-20/h2-8,13,21H,9-12H2,1H3,(H2,28,29)/t13-,21-/m1/s1
InChIKeyJJWSWTVYSOASDF-LRTDBIEQSA-N
XLogP4.35
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-(difluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798559
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798385
(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)-[(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]quinolin-8-yl]-[(3S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798460
4-amino-N-methyl-N-[(1S)-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867206
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
CID 164798501
6-[(3S)-4-(4-amino-1,3-dihydrofuro[3,4-c]quinoline-8-carbonyl)morpholin-3-yl]pyridine-3-carbonitrile
CID 164798713
[(3R)-4-amino-3-methyl-1,3,7,8-tetrahydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798507
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(1S,9R)-5-(trifluoromethoxy)-8-oxa-12-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-yl]methanone
CID 176751312
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
CID 164798691
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone
CID 164798401

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (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) is (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc3nc(N)c4c(c3c2)COC4)[C@@H](c2ccc(OC(F)(F)F)cc2)CO1.
What is the InChIKey of (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The InChIKey is JJWSWTVYSOASDF-LRTDBIEQSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-13-9-30(21(12-33-13)14-2-5-16(6-3-14)34-24(25,26)27)23(31)15-4-7-20-17(8-15)18-10-32-11-19(18)22(28)29-20/h2-8,13,21H,9-12H2,1H3,(H2,28,29)/t13-,21-/m1/s1.
What are the key properties of (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone has a molecular weight of 473.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(2R,5S)-2-methyl-5-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).