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

C21H20N2O3 — CID 67513160

IUPAC(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
SMILESCCCc1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C21H20N2O3/c1-3-6-14-10-19-20-16(9-15-7-4-5-8-18(15)22-20)11-23(19)21(25)17(14)12-26-13(2)24/h4-5,7-10H,3,6,11-12H2,1-2H3
InChIKeyHMSLUKPPEQXUKY-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.44
Rot. Bonds4

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

(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate (PubChem CID 67513160) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate.

Molecular Properties

Compound Name(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
PubChem CID67513160
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
SMILESCCCc1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2
InChIInChI=1S/C21H20N2O3/c1-3-6-14-10-19-20-16(9-15-7-4-5-8-18(15)22-20)11-23(19)21(25)17(14)12-26-13(2)24/h4-5,7-10H,3,6,11-12H2,1-2H3
InChIKeyHMSLUKPPEQXUKY-UHFFFAOYSA-N
XLogP3.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
CID 71479730
[7-[(2R)-1-cyano-2-hydroxybutan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl acetate;ethane
CID 142026327
[2-hydroxy-7-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl butanoate
CID 143485015
2-ethyl-4-[8-(2-methoxyethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid
CID 178167118
3-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]pentanoic acid
CID 178167119
(12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
CID 171621749
(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
(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
CID 169426811
CID 169426811
(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
(19S)-19-ethyl-19-hydroxy-3,13,17-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20),16-octaene-14,18-dione
CID 101114625

Frequently Asked Questions

What is the IUPAC name of (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
The IUPAC name of (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate (CID 67513160) is (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate.
What is the SMILES notation for (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
The canonical SMILES for (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate is CCCc1cc2n(c(=O)c1COC(C)=O)Cc1cc3ccccc3nc1-2.
What is the InChIKey of (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
The InChIKey is HMSLUKPPEQXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-6-14-10-19-20-16(9-15-7-4-5-8-18(15)22-20)11-23(19)21(25)17(14)12-26-13(2)24/h4-5,7-10H,3,6,11-12H2,1-2H3.
What are the key properties of (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
(9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate has a molecular weight of 348.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-oxo-7-propyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate is sourced from PubChem (CID 67513160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).