ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate

C19H25N3O6 — CID 11948335

IUPACethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(C)c2cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c2C1
InChIInChI=1S/C19H25N3O6/c1-7-26-17(23)12-8-14-15(22(6)11-12)9-13(27-18(24)20(2)3)10-16(14)28-19(25)21(4)5/h9-11H,7-8H2,1-6H3
InChIKeyUTMCSQMYHGQWDT-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.25
Rot. Bonds4

About ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate

ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate (PubChem CID 11948335) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate
PubChem CID11948335
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Nameethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(C)c2cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c2C1
InChIInChI=1S/C19H25N3O6/c1-7-26-17(23)12-8-14-15(22(6)11-12)9-13(27-18(24)20(2)3)10-16(14)28-19(25)21(4)5/h9-11H,7-8H2,1-6H3
InChIKeyUTMCSQMYHGQWDT-UHFFFAOYSA-N
XLogP2.25
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
The IUPAC name of ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate (CID 11948335) is ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate is CCOC(=O)C1=CN(C)c2cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c2C1.
What is the InChIKey of ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
The InChIKey is UTMCSQMYHGQWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-7-26-17(23)12-8-14-15(22(6)11-12)9-13(27-18(24)20(2)3)10-16(14)28-19(25)21(4)5/h9-11H,7-8H2,1-6H3.
What are the key properties of ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate?
ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-bis(dimethylcarbamoyloxy)-1-methyl-4H-quinoline-3-carboxylate is sourced from PubChem (CID 11948335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).