3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide

C22H24N4O2 — CID 113131810

IUPAC3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H24N4O2/c1-16(27)26(19-11-9-18(10-12-19)25(2)3)15-13-21(28)24-20-8-4-6-17-7-5-14-23-22(17)20/h4-12,14H,13,15H2,1-3H3,(H,24,28)
InChIKeyCGCYAVJESZKBPH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.68
Rot. Bonds6

About 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide

3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide (PubChem CID 113131810) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
PubChem CID113131810
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H24N4O2/c1-16(27)26(19-11-9-18(10-12-19)25(2)3)15-13-21(28)24-20-8-4-6-17-7-5-14-23-22(17)20/h4-12,14H,13,15H2,1-3H3,(H,24,28)
InChIKeyCGCYAVJESZKBPH-UHFFFAOYSA-N
XLogP3.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-quinolin-8-ylundecanamide
CID 3567928

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide (CID 113131810) is 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide is CC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide?
The InChIKey is CGCYAVJESZKBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(27)26(19-11-9-18(10-12-19)25(2)3)15-13-21(28)24-20-8-4-6-17-7-5-14-23-22(17)20/h4-12,14H,13,15H2,1-3H3,(H,24,28).
What are the key properties of 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide?
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide has a molecular weight of 376.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113131810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).