N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide

C23H25N3O3 — CID 46301224

IUPACN-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C23H25N3O3/c1-5-20(23(29)25-18-11-9-17(10-12-18)24-16(4)27)26-21(28)13-15(3)19-8-6-7-14(2)22(19)26/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyZRVWKROJMBEXSZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.17
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide

N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide (PubChem CID 46301224) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
PubChem CID46301224
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C23H25N3O3/c1-5-20(23(29)25-18-11-9-17(10-12-18)24-16(4)27)26-21(28)13-15(3)19-8-6-7-14(2)22(19)26/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyZRVWKROJMBEXSZ-UHFFFAOYSA-N
XLogP4.17
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
CID 46301191
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301175
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 46301197
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46301245
ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate
CID 46301226
N-(3,4-dimethylphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301501
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)butanamide
CID 46301214
N-(4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301055
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301204
N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702
N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
CID 39768166

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide (CID 46301224) is N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide is CCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1c(=O)cc(C)c2cccc(C)c21.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
The InChIKey is ZRVWKROJMBEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-5-20(23(29)25-18-11-9-17(10-12-18)24-16(4)27)26-21(28)13-15(3)19-8-6-7-14(2)22(19)26/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide?
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide has a molecular weight of 391.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide is sourced from PubChem (CID 46301224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).