methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

C14H13NO5 — CID 14852082

IUPACmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCn1cc(C(=O)OC)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H13NO5/c1-3-15-6-9(14(17)18-2)13(16)8-4-11-12(5-10(8)15)20-7-19-11/h4-6H,3,7H2,1-2H3
InChIKeyJPSLGIHGZFHMTG-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.54
Rot. Bonds2

About methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (PubChem CID 14852082) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
PubChem CID14852082
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Namemethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCn1cc(C(=O)OC)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H13NO5/c1-3-15-6-9(14(17)18-2)13(16)8-4-11-12(5-10(8)15)20-7-19-11/h4-6H,3,7H2,1-2H3
InChIKeyJPSLGIHGZFHMTG-UHFFFAOYSA-N
XLogP1.54
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoate
CID 78595997
cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 143573658
3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
CID 8022644
2-morpholin-4-ylethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 15048132
methyl 4-(5-ethyl-[1,3]dioxolo[4,5-f]indol-7-yl)-2,4-dioxobutanoate
CID 11347659
methyl (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-phenylpropanoate
CID 56698811
ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 171845228
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 142567545
5-ethyl-N-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 73401839
(3S)-2-(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)oxy-4-oxo-3-[(2-phenoxyacetyl)amino]azetidine-1-sulfonic acid
CID 22849498
5-ethyl-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 73401790
5-ethyl-N-[(2S,3S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 40854326

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The IUPAC name of methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CID 14852082) is methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.
What is the SMILES notation for methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The canonical SMILES for methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is CCn1cc(C(=O)OC)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The InChIKey is JPSLGIHGZFHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-3-15-6-9(14(17)18-2)13(16)8-4-11-12(5-10(8)15)20-7-19-11/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is sourced from PubChem (CID 14852082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).