methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate

C24H30N2O6 — CID 67367023

IUPACmethyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(/C=C/C2CCC(NC(=O)OC(C)(C)C)CO2)c2nc(OC)ccc12
InChIInChI=1S/C24H30N2O6/c1-24(2,3)32-23(28)25-16-8-10-17(31-14-16)9-6-15-7-11-19(22(27)30-5)18-12-13-20(29-4)26-21(15)18/h6-7,9,11-13,16-17H,8,10,14H2,1-5H3,(H,25,28)/b9-6+
InChIKeyCNMINKRQJZNTSY-RMKNXTFCSA-N
MW442.51 g/mol
LogP4.12
Rot. Bonds5

About methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate

methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate (PubChem CID 67367023) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate
PubChem CID67367023
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Namemethyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(/C=C/C2CCC(NC(=O)OC(C)(C)C)CO2)c2nc(OC)ccc12
InChIInChI=1S/C24H30N2O6/c1-24(2,3)32-23(28)25-16-8-10-17(31-14-16)9-6-15-7-11-19(22(27)30-5)18-12-13-20(29-4)26-21(15)18/h6-7,9,11-13,16-17H,8,10,14H2,1-5H3,(H,25,28)/b9-6+
InChIKeyCNMINKRQJZNTSY-RMKNXTFCSA-N
XLogP4.12
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
CID 69192070
tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68618535
tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
CID 46941969
tert-butyl N-[(2S,3R,6S)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
CID 69193963
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 68529498
tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 66746573
tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate
CID 66971140
tert-butyl N-[1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 68515944
tert-butyl N-[(1S)-1-(5-aminooxan-2-yl)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 123557572
tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 67378331
tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617905
tert-butyl N-[4-[2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617908

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate?
The IUPAC name of methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate (CID 67367023) is methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate.
What is the SMILES notation for methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate?
The canonical SMILES for methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate is COC(=O)c1ccc(/C=C/C2CCC(NC(=O)OC(C)(C)C)CO2)c2nc(OC)ccc12.
What is the InChIKey of methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate?
The InChIKey is CNMINKRQJZNTSY-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-24(2,3)32-23(28)25-16-8-10-17(31-14-16)9-6-15-7-11-19(22(27)30-5)18-12-13-20(29-4)26-21(15)18/h6-7,9,11-13,16-17H,8,10,14H2,1-5H3,(H,25,28)/b9-6+.
What are the key properties of methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate?
methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate has a molecular weight of 442.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate is sourced from PubChem (CID 67367023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).