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

C21H20N2O4 — CID 171621749

IUPAC(12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
SMILESCCc1c2c(nc3ccccc13)-c1cc(OC)c(COC(C)=O)c(=O)n1C2
InChIInChI=1S/C21H20N2O4/c1-4-13-14-7-5-6-8-17(14)22-20-15(13)10-23-18(20)9-19(26-3)16(21(23)25)11-27-12(2)24/h5-9H,4,10-11H2,1-3H3
InChIKeyZGVDHELLAUYQKT-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.06
Rot. Bonds4

About (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate

(12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate (PubChem CID 171621749) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate.

Molecular Properties

Compound Name(12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
PubChem CID171621749
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate
SMILESCCc1c2c(nc3ccccc13)-c1cc(OC)c(COC(C)=O)c(=O)n1C2
InChIInChI=1S/C21H20N2O4/c1-4-13-14-7-5-6-8-17(14)22-20-15(13)10-23-18(20)9-19(26-3)16(21(23)25)11-27-12(2)24/h5-9H,4,10-11H2,1-3H3
InChIKeyZGVDHELLAUYQKT-UHFFFAOYSA-N
XLogP3.06
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;(12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl propanoate
CID 163276518
tert-butyl 8-(acetyloxymethyl)-12-ethyl-7-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinoline-2-carboxylate
CID 166986860
12-ethyl-8-(methoxymethyl)-7-(1-methoxy-2-methylbutan-2-yl)-11H-indolizino[1,2-b]quinolin-9-one
CID 155108656
[(19S)-10-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] acetate
CID 171621945
(12-ethyl-2-hydroxy-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl (2R)-2-methoxypropanoate
CID 71032210
[(19R)-10,19-diethyl-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] acetate
CID 167261096
17-amino-10,19-diethyl-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)-heptaene-14,18-dione
CID 85153355
tert-butyl 3-[12-ethyl-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxypentanoate
CID 10600210
[12-[2-[acetyl(propan-2-yl)amino]ethyl]-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate
CID 155215692
(19S)-10-(aminomethyl)-19-methoxy-19-methyl-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
CID 70367778
12-ethyl-2-methoxy-8-(methoxymethyl)-7-propyl-11H-indolizino[1,2-b]quinolin-9-one
CID 165146233
methyl 7-chloro-10-ethyl-14-oxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20),16,18-nonaene-19-carboxylate
CID 25022601

Frequently Asked Questions

What is the IUPAC name of (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
The IUPAC name of (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate (CID 171621749) is (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate.
What is the SMILES notation for (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
The canonical SMILES for (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate is CCc1c2c(nc3ccccc13)-c1cc(OC)c(COC(C)=O)c(=O)n1C2.
What is the InChIKey of (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
The InChIKey is ZGVDHELLAUYQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-4-13-14-7-5-6-8-17(14)22-20-15(13)10-23-18(20)9-19(26-3)16(21(23)25)11-27-12(2)24/h5-9H,4,10-11H2,1-3H3.
What are the key properties of (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate?
(12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate has a molecular weight of 364.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (12-ethyl-7-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl acetate is sourced from PubChem (CID 171621749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).