3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide

C22H22N4O3 — CID 113131055

IUPAC3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)Nc2cccc3cccnc23)C(C)=O)c1
InChIInChI=1S/C22H22N4O3/c1-15(27)24-18-8-4-9-19(14-18)26(16(2)28)13-11-21(29)25-20-10-3-6-17-7-5-12-23-22(17)20/h3-10,12,14H,11,13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyLRTWTCLGMXCRKL-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.57
Rot. Bonds6

About 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide

3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide (PubChem CID 113131055) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
PubChem CID113131055
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)Nc2cccc3cccnc23)C(C)=O)c1
InChIInChI=1S/C22H22N4O3/c1-15(27)24-18-8-4-9-19(14-18)26(16(2)28)13-11-21(29)25-20-10-3-6-17-7-5-12-23-22(17)20/h3-10,12,14H,11,13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyLRTWTCLGMXCRKL-UHFFFAOYSA-N
XLogP3.57
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide 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-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide (CID 113131055) is 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide is CC(=O)Nc1cccc(N(CCC(=O)Nc2cccc3cccnc23)C(C)=O)c1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is LRTWTCLGMXCRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)24-18-8-4-9-19(14-18)26(16(2)28)13-11-21(29)25-20-10-3-6-17-7-5-12-23-22(17)20/h3-10,12,14H,11,13H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide?
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide has a molecular weight of 390.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113131055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).