3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide

C21H18N4O2 — CID 113134986

IUPAC3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cccc(C#N)c1
InChIInChI=1S/C21H18N4O2/c1-15(26)25(18-8-2-5-16(13-18)14-22)12-10-20(27)24-19-9-3-6-17-7-4-11-23-21(17)19/h2-9,11,13H,10,12H2,1H3,(H,24,27)
InChIKeyYAVJLMBIWNDNKF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.49
Rot. Bonds5

About 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide

3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide (PubChem CID 113134986) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
PubChem CID113134986
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cccc(C#N)c1
InChIInChI=1S/C21H18N4O2/c1-15(26)25(18-8-2-5-16(13-18)14-22)12-10-20(27)24-19-9-3-6-17-7-4-11-23-21(17)19/h2-9,11,13H,10,12H2,1H3,(H,24,27)
InChIKeyYAVJLMBIWNDNKF-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

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Related Compounds

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-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
CID 113133291
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide (CID 113134986) is 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide is CC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cccc(C#N)c1.
What is the InChIKey of 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is YAVJLMBIWNDNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15(26)25(18-8-2-5-16(13-18)14-22)12-10-20(27)24-19-9-3-6-17-7-4-11-23-21(17)19/h2-9,11,13H,10,12H2,1H3,(H,24,27).
What are the key properties of 3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide?
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide 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-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113134986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).