ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate

C14H14N2O4S — CID 160880591

IUPACethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1[nH]c(=O)sc1CC2C
InChIInChI=1S/C14H14N2O4S/c1-3-20-13(18)8-6-16-7(2)4-11-12(15-14(19)21-11)9(16)5-10(8)17/h5-7H,3-4H2,1-2H3,(H,15,19)
InChIKeyJNULGZXYOGQFMP-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.56
Rot. Bonds2

About ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate

ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate (PubChem CID 160880591) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate
PubChem CID160880591
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Nameethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1[nH]c(=O)sc1CC2C
InChIInChI=1S/C14H14N2O4S/c1-3-20-13(18)8-6-16-7(2)4-11-12(15-14(19)21-11)9(16)5-10(8)17/h5-7H,3-4H2,1-2H3,(H,15,19)
InChIKeyJNULGZXYOGQFMP-UHFFFAOYSA-N
XLogP1.56
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate with MolForge

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Related Compounds

ethyl (7R)-2,3,7-trimethyl-11-oxo-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylate
CID 158392748
ethyl 6-(acetyloxymethyl)-9,10-diethoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 121301617
ethyl 6-ethyl-9-hydroxy-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118251974
ethyl 10-bromo-9-hydroxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 150609901
ethyl (6S)-6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 142624528
ethyl 18-tert-butyl-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylate
CID 139462232
ethyl 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118251972
ethyl 10-chloro-9-(2-hydroxyethoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118284998
ethyl (5R)-2-methyl-9-oxo-5-propan-2-yl-5H-pyrido[2,3-a]indolizine-8-carboxylate
CID 147639274
ethyl 2-chloro-3-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylate
CID 158593535
ethyl (6S)-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 126538627
ethyl 6-tert-butyl-9-(4-hydroxybut-2-ynoxy)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate?
The IUPAC name of ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate (CID 160880591) is ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate?
The canonical SMILES for ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1[nH]c(=O)sc1CC2C.
What is the InChIKey of ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate?
The InChIKey is JNULGZXYOGQFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-3-20-13(18)8-6-16-7(2)4-11-12(15-14(19)21-11)9(16)5-10(8)17/h5-7H,3-4H2,1-2H3,(H,15,19).
What are the key properties of ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate?
ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2,9-dioxo-4,5-dihydro-1H-[1,3]thiazolo[4,5-a]quinolizine-8-carboxylate is sourced from PubChem (CID 160880591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).