1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide

C23H26N2O4 — CID 118643388

IUPAC1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(OC)c21
InChIInChI=1S/C23H26N2O4/c1-3-29-15-14-25-16-19(22(26)18-10-7-11-20(28-2)21(18)25)23(27)24-13-12-17-8-5-4-6-9-17/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyQKCBUMJCRHUCAH-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.02
Rot. Bonds9

About 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide

1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (PubChem CID 118643388) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
PubChem CID118643388
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(OC)c21
InChIInChI=1S/C23H26N2O4/c1-3-29-15-14-25-16-19(22(26)18-10-7-11-20(28-2)21(18)25)23(27)24-13-12-17-8-5-4-6-9-17/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyQKCBUMJCRHUCAH-UHFFFAOYSA-N
XLogP3.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (CID 118643388) is 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is CCOCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(OC)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The InChIKey is QKCBUMJCRHUCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-29-15-14-25-16-19(22(26)18-10-7-11-20(28-2)21(18)25)23(27)24-13-12-17-8-5-4-6-9-17/h4-11,16H,3,12-15H2,1-2H3,(H,24,27).
What are the key properties of 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-8-methoxy-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 118643388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).