8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C23H26N2O4 — CID 23555586

IUPAC8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C23H26N2O4/c1-3-4-14-29-21-19(28-2)11-10-17-15-18(23(27)25-20(17)21)22(26)24-13-12-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHBDXWEHMISMTJB-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.69
Rot. Bonds9

About 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 23555586) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID23555586
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C23H26N2O4/c1-3-4-14-29-21-19(28-2)11-10-17-15-18(23(27)25-20(17)21)22(26)24-13-12-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHBDXWEHMISMTJB-UHFFFAOYSA-N
XLogP3.69
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 23555586) is 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is HBDXWEHMISMTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-4-14-29-21-19(28-2)11-10-17-15-18(23(27)25-20(17)21)22(26)24-13-12-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23555586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).