6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide

C17H22N2O4 — CID 3217688

IUPAC6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2ccc(OCC)cc2c1=O
InChIInChI=1S/C17H22N2O4/c1-3-22-9-5-8-18-17(21)14-11-19-15-7-6-12(23-4-2)10-13(15)16(14)20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAVPGRJKYYRXHGA-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.08
Rot. Bonds8

About 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide

6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3217688) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3217688
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2ccc(OCC)cc2c1=O
InChIInChI=1S/C17H22N2O4/c1-3-22-9-5-8-18-17(21)14-11-19-15-7-6-12(23-4-2)10-13(15)16(14)20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAVPGRJKYYRXHGA-UHFFFAOYSA-N
XLogP2.08
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide (CID 3217688) is 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide is CCOCCCNC(=O)c1c[nH]c2ccc(OCC)cc2c1=O.
What is the InChIKey of 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is AVPGRJKYYRXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-22-9-5-8-18-17(21)14-11-19-15-7-6-12(23-4-2)10-13(15)16(14)20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide?
6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).