ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

C20H24N2O7 — CID 171845228

IUPACethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cn(CCNC(=O)OC(C)(C)C)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C20H24N2O7/c1-5-26-18(24)13-10-22(7-6-21-19(25)29-20(2,3)4)14-9-16-15(27-11-28-16)8-12(14)17(13)23/h8-10H,5-7,11H2,1-4H3,(H,21,25)
InChIKeyHBQCUEVEZFGQFG-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.43
Rot. Bonds5

About ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (PubChem CID 171845228) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
PubChem CID171845228
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Nameethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cn(CCNC(=O)OC(C)(C)C)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C20H24N2O7/c1-5-26-18(24)13-10-22(7-6-21-19(25)29-20(2,3)4)14-9-16-15(27-11-28-16)8-12(14)17(13)23/h8-10H,5-7,11H2,1-4H3,(H,21,25)
InChIKeyHBQCUEVEZFGQFG-UHFFFAOYSA-N
XLogP2.43
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The IUPAC name of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CID 171845228) is ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The canonical SMILES for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is CCOC(=O)c1cn(CCNC(=O)OC(C)(C)C)c2cc3c(cc2c1=O)OCO3.
What is the InChIKey of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The InChIKey is HBQCUEVEZFGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7/c1-5-26-18(24)13-10-22(7-6-21-19(25)29-20(2,3)4)14-9-16-15(27-11-28-16)8-12(14)17(13)23/h8-10H,5-7,11H2,1-4H3,(H,21,25).
What are the key properties of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate has a molecular weight of 404.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is sourced from PubChem (CID 171845228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).