3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide

C21H20ClN3O2 — CID 113133258

IUPAC3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1cccc2cccnc12
InChIInChI=1S/C21H20ClN3O2/c1-14-13-17(22)8-9-18(14)24-20(27)10-12-25(15(2)26)19-7-3-5-16-6-4-11-23-21(16)19/h3-9,11,13H,10,12H2,1-2H3,(H,24,27)
InChIKeyXMWWOVAPCYNLPP-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.58
Rot. Bonds5

About 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide

3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 113133258) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID113133258
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1cccc2cccnc12
InChIInChI=1S/C21H20ClN3O2/c1-14-13-17(22)8-9-18(14)24-20(27)10-12-25(15(2)26)19-7-3-5-16-6-4-11-23-21(16)19/h3-9,11,13H,10,12H2,1-2H3,(H,24,27)
InChIKeyXMWWOVAPCYNLPP-UHFFFAOYSA-N
XLogP4.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
CID 113133291
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889
3-(N-acetyl-2,5-dichloroanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134010

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide (CID 113133258) is 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1C)c1cccc2cccnc12.
What is the InChIKey of 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is XMWWOVAPCYNLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-13-17(22)8-9-18(14)24-20(27)10-12-25(15(2)26)19-7-3-5-16-6-4-11-23-21(16)19/h3-9,11,13H,10,12H2,1-2H3,(H,24,27).
What are the key properties of 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide?
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 381.86 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113133258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).