3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide

C22H23N3O2 — CID 113124439

IUPAC3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cc(C)ccc1C
InChIInChI=1S/C22H23N3O2/c1-15-9-10-16(2)20(14-15)25(17(3)26)13-11-21(27)24-19-8-4-6-18-7-5-12-23-22(18)19/h4-10,12,14H,11,13H2,1-3H3,(H,24,27)
InChIKeyHLKZMANJAZYCBB-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.23
Rot. Bonds5

About 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide

3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide (PubChem CID 113124439) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
PubChem CID113124439
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cc(C)ccc1C
InChIInChI=1S/C22H23N3O2/c1-15-9-10-16(2)20(14-15)25(17(3)26)13-11-21(27)24-19-8-4-6-18-7-5-12-23-22(18)19/h4-10,12,14H,11,13H2,1-3H3,(H,24,27)
InChIKeyHLKZMANJAZYCBB-UHFFFAOYSA-N
XLogP4.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
CID 113133258
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide (CID 113124439) is 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide is CC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cc(C)ccc1C.
What is the InChIKey of 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is HLKZMANJAZYCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-9-10-16(2)20(14-15)25(17(3)26)13-11-21(27)24-19-8-4-6-18-7-5-12-23-22(18)19/h4-10,12,14H,11,13H2,1-3H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide?
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113124439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).