2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid

C24H26N2O4 — CID 178167118

IUPAC2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid
SMILESCCC(CCc1cc2n(c(=O)c1CCOC)Cc1cc3ccccc3nc1-2)C(=O)O
InChIInChI=1S/C24H26N2O4/c1-3-15(24(28)29)8-9-16-13-21-22-18(12-17-6-4-5-7-20(17)25-22)14-26(21)23(27)19(16)10-11-30-2/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,28,29)
InChIKeySJFSOBWHHIQWQC-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.66
Rot. Bonds8

About 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid

2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid (PubChem CID 178167118) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid
PubChem CID178167118
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid
SMILESCCC(CCc1cc2n(c(=O)c1CCOC)Cc1cc3ccccc3nc1-2)C(=O)O
InChIInChI=1S/C24H26N2O4/c1-3-15(24(28)29)8-9-16-13-21-22-18(12-17-6-4-5-7-20(17)25-22)14-26(21)23(27)19(16)10-11-30-2/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,28,29)
InChIKeySJFSOBWHHIQWQC-UHFFFAOYSA-N
XLogP3.66
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid with MolForge

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Related Compounds

(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
CID 67513160
3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
CID 178167119
(2R)-2-[[(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoyl]amino]propanoic acid
CID 46180589
(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 71479730
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
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 67874022
[2-hydroxy-7-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl butanoate
CID 143485015
[(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
(14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) propanoate
CID 166810931
[7-[(2R)-1-cyano-2-hydroxybutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;ethane
CID 142026327
1-(9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl methanesulfonate
CID 10872340
[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2R)-2-methylbutanoate
CID 71197661

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid?
The IUPAC name of 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid (CID 178167118) is 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid?
The canonical SMILES for 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid is CCC(CCc1cc2n(c(=O)c1CCOC)Cc1cc3ccccc3nc1-2)C(=O)O.
What is the InChIKey of 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid?
The InChIKey is SJFSOBWHHIQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-15(24(28)29)8-9-16-13-21-22-18(12-17-6-4-5-7-20(17)25-22)14-26(21)23(27)19(16)10-11-30-2/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,28,29).
What are the key properties of 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid?
2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid has a molecular weight of 406.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid is sourced from PubChem (CID 178167118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).