(4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone

C25H24F3N3O4 — CID 164798427

IUPAC(4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESCC1(C)OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C25H24F3N3O4/c1-24(2)21-18(12-34-24)17-11-15(5-8-19(17)30-22(21)29)23(32)31-9-10-33-13-20(31)14-3-6-16(7-4-14)35-25(26,27)28/h3-8,11,20H,9-10,12-13H2,1-2H3,(H2,29,30)/t20-/m1/s1
InChIKeyBJVDUFBPQHUQMQ-HXUWFJFHSA-N
MW487.48 g/mol
LogP4.69
Rot. Bonds3

About (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone

(4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (PubChem CID 164798427) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
PubChem CID164798427
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Name(4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
SMILESCC1(C)OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C25H24F3N3O4/c1-24(2)21-18(12-34-24)17-11-15(5-8-19(17)30-22(21)29)23(32)31-9-10-33-13-20(31)14-3-6-16(7-4-14)35-25(26,27)28/h3-8,11,20H,9-10,12-13H2,1-2H3,(H2,29,30)/t20-/m1/s1
InChIKeyBJVDUFBPQHUQMQ-HXUWFJFHSA-N
XLogP4.69
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone (CID 164798427) is (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is CC1(C)OCc2c1c(N)nc1ccc(C(=O)N3CCOC[C@@H]3c3ccc(OC(F)(F)F)cc3)cc21.
What is the InChIKey of (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
The InChIKey is BJVDUFBPQHUQMQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-24(2)21-18(12-34-24)17-11-15(5-8-19(17)30-22(21)29)23(32)31-9-10-33-13-20(31)14-3-6-16(7-4-14)35-25(26,27)28/h3-8,11,20H,9-10,12-13H2,1-2H3,(H2,29,30)/t20-/m1/s1.
What are the key properties of (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone?
(4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone has a molecular weight of 487.48 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethyl-1H-furo[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).