(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid

C22H20N2O6 — CID 71479730

IUPAC(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
SMILESCC[C@](O)(C(=O)O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C22H20N2O6/c1-3-22(29,21(27)28)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-30-12(2)25/h4-9,29H,3,10-11H2,1-2H3,(H,27,28)/t22-/m1/s1
InChIKeyZXQLECPLGKEUQV-JOCHJYFZSA-N
MW408.41 g/mol
LogP2.17
Rot. Bonds5

About (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid

(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid (PubChem CID 71479730) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
PubChem CID71479730
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
SMILESCC[C@](O)(C(=O)O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C22H20N2O6/c1-3-22(29,21(27)28)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-30-12(2)25/h4-9,29H,3,10-11H2,1-2H3,(H,27,28)/t22-/m1/s1
InChIKeyZXQLECPLGKEUQV-JOCHJYFZSA-N
XLogP2.17
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

[7-[(2R)-1-cyano-2-hydroxybutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;ethane
CID 142026327
(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
CID 67513160
(2R)-2-[[(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoyl]amino]propanoic acid
CID 46180589
(2S)-2-[6-amino-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 51356272
disodium;2-hydroxy-2-[2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate
CID 53463210
2-[1-amino-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate
CID 91929323
(2R)-2-[1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 100946428
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanenitrile
CID 135035827
[7-[(2S)-1-[2-[2-(2-acetamidoethoxy)ethoxy]ethylamino]-2-hydroxy-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;3-acetamidopropyl [7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl carbonate;2-[2-[2-[2-[[(2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoyl]amino]ethoxy]ethoxy]ethylcarbamoyloxy]ethyl acetate;[7-[(2S)-2-hydroxy-1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;3-[2-[3-[[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methoxycarbonyloxy]propylcarbamoyloxy]ethoxycarbonylamino]propyl 3-[7-[(2S)-2-hydroxy-1-oxo-1-(propylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]propanoate;methane
CID 158342351
3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
CID 178167119
[(2S)-2-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 143551432
[7-[(2S)-1-[2-(dimethylamino)ethylamino]-2-hydroxy-1-oxobutan-2-yl]-12-ethyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl 4-fluorobenzoate
CID 10348329

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid (CID 71479730) is (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid is CC[C@](O)(C(=O)O)c1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.
What is the InChIKey of (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid?
The InChIKey is ZXQLECPLGKEUQV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-3-22(29,21(27)28)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-30-12(2)25/h4-9,29H,3,10-11H2,1-2H3,(H,27,28)/t22-/m1/s1.
What are the key properties of (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid?
(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid has a molecular weight of 408.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid is sourced from PubChem (CID 71479730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).