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

C24H22F3N3O4 — CID 164798370

IUPAC[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C24H22F3N3O4/c1-13-21-18(11-33-13)17-10-15(4-7-19(17)29-22(21)28)23(31)30-8-9-32-12-20(30)14-2-5-16(6-3-14)34-24(25,26)27/h2-7,10,13,20H,8-9,11-12H2,1H3,(H2,28,29)/t13-,20-/m1/s1
InChIKeyFRVHKXQCBYRXQR-ZUOKHONESA-N
MW473.45 g/mol
LogP4.52
Rot. Bonds3

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

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (PubChem CID 164798370) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(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-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
PubChem CID164798370
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C24H22F3N3O4/c1-13-21-18(11-33-13)17-10-15(4-7-19(17)29-22(21)28)23(31)30-8-9-32-12-20(30)14-2-5-16(6-3-14)34-24(25,26)27/h2-7,10,13,20H,8-9,11-12H2,1H3,(H2,28,29)/t13-,20-/m1/s1
InChIKeyFRVHKXQCBYRXQR-ZUOKHONESA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(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-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (CID 164798370) is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(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-(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-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(OC(F)(F)F)cc3)cc21.
What is the InChIKey of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The InChIKey is FRVHKXQCBYRXQR-ZUOKHONESA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-13-21-18(11-33-13)17-10-15(4-7-19(17)29-22(21)28)23(31)30-8-9-32-12-20(30)14-2-5-16(6-3-14)34-24(25,26)27/h2-7,10,13,20H,8-9,11-12H2,1H3,(H2,28,29)/t13-,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-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone has a molecular weight of 473.45 g/mol, XLogP of 4.52, 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-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).