ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate

C17H20N2O4 — CID 5130970

IUPACethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCC2CCCO2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-2-22-17(21)14-15(18-10-11-6-5-9-23-11)12-7-3-4-8-13(12)19-16(14)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyRNUIRLDCDAPOIR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate

ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate (PubChem CID 5130970) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate
PubChem CID5130970
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCC2CCCO2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-2-22-17(21)14-15(18-10-11-6-5-9-23-11)12-7-3-4-8-13(12)19-16(14)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyRNUIRLDCDAPOIR-UHFFFAOYSA-N
XLogP2.30
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate (CID 5130970) is ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate is CCOC(=O)c1c(NCC2CCCO2)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate?
The InChIKey is RNUIRLDCDAPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-22-17(21)14-15(18-10-11-6-5-9-23-11)12-7-3-4-8-13(12)19-16(14)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,18,19,20).
What are the key properties of ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate?
ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-(oxolan-2-ylmethylamino)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 5130970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).