2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide

C26H23N3O3 — CID 46578599

IUPAC2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H23N3O3/c1-3-25(30)27-18-7-6-8-19(15-18)28-26(31)22-16-24(17-11-13-20(32-2)14-12-17)29-23-10-5-4-9-21(22)23/h4-16H,3H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMLCYXDVAGFXMLS-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.51
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide (PubChem CID 46578599) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
PubChem CID46578599
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c1
InChIInChI=1S/C26H23N3O3/c1-3-25(30)27-18-7-6-8-19(15-18)28-26(31)22-16-24(17-11-13-20(32-2)14-12-17)29-23-10-5-4-9-21(22)23/h4-16H,3H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMLCYXDVAGFXMLS-UHFFFAOYSA-N
XLogP5.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 4207709
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4863761
N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 3635002
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide (CID 46578599) is 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide?
The InChIKey is MLCYXDVAGFXMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-3-25(30)27-18-7-6-8-19(15-18)28-26(31)22-16-24(17-11-13-20(32-2)14-12-17)29-23-10-5-4-9-21(22)23/h4-16H,3H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 46578599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).