1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid

C23H22F3N3O5 — CID 67874022

IUPAC1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid
SMILESCCC(OC(=O)CN)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N3O3.C2HF3O2/c1-3-18(27-19(25)10-22)15-9-17-20-14(11-24(17)21(26)12(15)2)8-13-6-4-5-7-16(13)23-20;3-2(4,5)1(6)7/h4-9,18H,3,10-11,22H2,1-2H3;(H,6,7)
InChIKeyWWTQPJOAHRNXKC-UHFFFAOYSA-N
MW477.44 g/mol
LogP3.32
Rot. Bonds4

About 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid

1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid (PubChem CID 67874022) has the molecular formula C23H22F3N3O5 and a molecular weight of 477.44 g/mol. Its IUPAC name is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid
PubChem CID67874022
Molecular FormulaC23H22F3N3O5
Molecular Weight477.44 g/mol
Exact Mass477.15
IUPAC Name1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid
SMILESCCC(OC(=O)CN)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N3O3.C2HF3O2/c1-3-18(27-19(25)10-22)15-9-17-20-14(11-24(17)21(26)12(15)2)8-13-6-4-5-7-16(13)23-20;3-2(4,5)1(6)7/h4-9,18H,3,10-11,22H2,1-2H3;(H,6,7)
InChIKeyWWTQPJOAHRNXKC-UHFFFAOYSA-N
XLogP3.32
TPSA124.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 21308396
1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
CID 54288547
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-imidazol-1-ylacetate;hydrochloride
CID 86753926
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67874023
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate
CID 54178196
[(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67874038
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl (2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67874035
3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
CID 178167119
8-methyl-7-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-11H-indolizino[1,2-b]quinolin-9-one
CID 10009187
8-(hydroxymethyl)-7-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-11H-indolizino[1,2-b]quinolin-9-one
CID 10051016
methyl 3-(2,3-difluoro-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)-3-methoxypropanoate
CID 142958645
(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 71479730

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid (CID 67874022) is 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid is CCC(OC(=O)CN)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
The InChIKey is WWTQPJOAHRNXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3.C2HF3O2/c1-3-18(27-19(25)10-22)15-9-17-20-14(11-24(17)21(26)12(15)2)8-13-6-4-5-7-16(13)23-20;3-2(4,5)1(6)7/h4-9,18H,3,10-11,22H2,1-2H3;(H,6,7).
What are the key properties of 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid?
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid has a molecular weight of 477.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67874022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).