3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid

C21H20N2O4 — CID 178167119

IUPAC3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
SMILESCCC(CC(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C21H20N2O4/c1-2-12(8-19(25)26)15-9-18-20-14(10-23(18)21(27)16(15)11-24)7-13-5-3-4-6-17(13)22-20/h3-7,9,12,24H,2,8,10-11H2,1H3,(H,25,26)
InChIKeyINXPITYIQZXFDT-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.89
Rot. Bonds5

About 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid

3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid (PubChem CID 178167119) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid.

Molecular Properties

Compound Name3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
PubChem CID178167119
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
SMILESCCC(CC(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C21H20N2O4/c1-2-12(8-19(25)26)15-9-18-20-14(10-23(18)21(27)16(15)11-24)7-13-5-3-4-6-17(13)22-20/h3-7,9,12,24H,2,8,10-11H2,1H3,(H,25,26)
InChIKeyINXPITYIQZXFDT-UHFFFAOYSA-N
XLogP2.89
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoyl]amino]propanoic acid
CID 46180589
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-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid
CID 178167118
(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
CID 67513160
(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 71479730
(2S)-2-[6-amino-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 51356272
(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;propanoic acid
CID 67096558
(5R)-5-ethyl-7,9-dioxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14,16,18-heptaene-5-carboxamide
CID 44562865
[2-hydroxy-7-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl butanoate
CID 143485015
ethane;8-(hydroxymethyl)-7-(1-hydroxy-2-oxopropyl)-12-methyl-11H-indolizino[1,2-b]quinolin-9-one
CID 177022472
1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 4-[(dimethylamino)methyl]benzoate
CID 54178196

Frequently Asked Questions

What is the IUPAC name of 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid?
The IUPAC name of 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid (CID 178167119) is 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid.
What is the SMILES notation for 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid?
The canonical SMILES for 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid is CCC(CC(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.
What is the InChIKey of 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid?
The InChIKey is INXPITYIQZXFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-2-12(8-19(25)26)15-9-18-20-14(10-23(18)21(27)16(15)11-24)7-13-5-3-4-6-17(13)22-20/h3-7,9,12,24H,2,8,10-11H2,1H3,(H,25,26).
What are the key properties of 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid?
3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid has a molecular weight of 364.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid is sourced from PubChem (CID 178167119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).