N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide

C21H21N3O3 — CID 46301016

IUPACN-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2c(=O)cc(C)c3ccccc32)cc1
InChIInChI=1S/C21H21N3O3/c1-13-12-20(26)24(19-7-5-4-6-18(13)19)14(2)21(27)23-17-10-8-16(9-11-17)22-15(3)25/h4-12,14H,1-3H3,(H,22,25)(H,23,27)
InChIKeyPPGMLXKHLDPHRU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.47
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide

N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 46301016) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID46301016
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2c(=O)cc(C)c3ccccc32)cc1
InChIInChI=1S/C21H21N3O3/c1-13-12-20(26)24(19-7-5-4-6-18(13)19)14(2)21(27)23-17-10-8-16(9-11-17)22-15(3)25/h4-12,14H,1-3H3,(H,22,25)(H,23,27)
InChIKeyPPGMLXKHLDPHRU-UHFFFAOYSA-N
XLogP3.47
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301175
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
N-(4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301055
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301224
diethyl 2-methyl-5-[2-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]furan-3,4-dicarboxylate
CID 46301139
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 46301180
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301338
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301342
3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4911728

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide (CID 46301016) is N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)n2c(=O)cc(C)c3ccccc32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is PPGMLXKHLDPHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-12-20(26)24(19-7-5-4-6-18(13)19)14(2)21(27)23-17-10-8-16(9-11-17)22-15(3)25/h4-12,14H,1-3H3,(H,22,25)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide?
N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 363.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 46301016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).