3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide

C21H18N4O2 — CID 113133291

IUPAC3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1cccc2cccnc12
InChIInChI=1S/C21H18N4O2/c1-15(26)25(19-6-2-4-17-5-3-12-23-21(17)19)13-11-20(27)24-18-9-7-16(14-22)8-10-18/h2-10,12H,11,13H2,1H3,(H,24,27)
InChIKeyDIDHDNYIYOBCDS-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.49
Rot. Bonds5

About 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide

3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide (PubChem CID 113133291) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
PubChem CID113133291
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1cccc2cccnc12
InChIInChI=1S/C21H18N4O2/c1-15(26)25(19-6-2-4-17-5-3-12-23-21(17)19)13-11-20(27)24-18-9-7-16(14-22)8-10-18/h2-10,12H,11,13H2,1H3,(H,24,27)
InChIKeyDIDHDNYIYOBCDS-UHFFFAOYSA-N
XLogP3.49
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide 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

3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
CID 113133258
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide (CID 113133291) is 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1cccc2cccnc12.
What is the InChIKey of 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide?
The InChIKey is DIDHDNYIYOBCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15(26)25(19-6-2-4-17-5-3-12-23-21(17)19)13-11-20(27)24-18-9-7-16(14-22)8-10-18/h2-10,12H,11,13H2,1H3,(H,24,27).
What are the key properties of 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide?
3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide has a molecular weight of 358.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 113133291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).