methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C32H26F6N4O6 — CID 590788

IUPACmethyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCOC(=O)C(Cc1cccc2nc3c(cc12)Cc1nc2ccccc2c(CC(NC(=O)C(F)(F)F)C(=O)OC)c1C3)NC(=O)C(F)(F)F
InChIInChI=1S/C32H26F6N4O6/c1-47-27(43)25(41-29(45)31(33,34)35)11-15-6-5-9-22-18(15)10-16-12-24-20(14-23(16)39-22)19(17-7-3-4-8-21(17)40-24)13-26(28(44)48-2)42-30(46)32(36,37)38/h3-10,25-26H,11-14H2,1-2H3,(H,41,45)(H,42,46)
InChIKeyIGNKICDWOKCQBK-UHFFFAOYSA-N
MW676.57 g/mol
LogP3.80
Rot. Bonds8

About methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate

methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 590788) has the molecular formula C32H26F6N4O6 and a molecular weight of 676.57 g/mol. Its IUPAC name is methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID590788
Molecular FormulaC32H26F6N4O6
Molecular Weight676.57 g/mol
Exact Mass676.18
IUPAC Namemethyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCOC(=O)C(Cc1cccc2nc3c(cc12)Cc1nc2ccccc2c(CC(NC(=O)C(F)(F)F)C(=O)OC)c1C3)NC(=O)C(F)(F)F
InChIInChI=1S/C32H26F6N4O6/c1-47-27(43)25(41-29(45)31(33,34)35)11-15-6-5-9-22-18(15)10-16-12-24-20(14-23(16)39-22)19(17-7-3-4-8-21(17)40-24)13-26(28(44)48-2)42-30(46)32(36,37)38/h3-10,25-26H,11-14H2,1-2H3,(H,41,45)(H,42,46)
InChIKeyIGNKICDWOKCQBK-UHFFFAOYSA-N
XLogP3.80
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate 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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 590788) is methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate is COC(=O)C(Cc1cccc2nc3c(cc12)Cc1nc2ccccc2c(CC(NC(=O)C(F)(F)F)C(=O)OC)c1C3)NC(=O)C(F)(F)F.
What is the InChIKey of methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is IGNKICDWOKCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F6N4O6/c1-47-27(43)25(41-29(45)31(33,34)35)11-15-6-5-9-22-18(15)10-16-12-24-20(14-23(16)39-22)19(17-7-3-4-8-21(17)40-24)13-26(28(44)48-2)42-30(46)32(36,37)38/h3-10,25-26H,11-14H2,1-2H3,(H,41,45)(H,42,46).
What are the key properties of methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 676.57 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[7-[3-methoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]-6,13-dihydroquinolino[2,3-b]acridin-1-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 590788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).