N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide

C21H21N3O2 — CID 9191497

IUPACN-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H21N3O2/c1-4-18-20(13(2)17-7-5-6-8-19(17)24-18)21(26)23-16-11-9-15(10-12-16)22-14(3)25/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGXOVGAAUEWMQJM-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.32
Rot. Bonds4

About N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide

N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide (PubChem CID 9191497) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
PubChem CID9191497
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
SMILESCCc1nc2ccccc2c(C)c1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H21N3O2/c1-4-18-20(13(2)17-7-5-6-8-19(17)24-18)21(26)23-16-11-9-15(10-12-16)22-14(3)25/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGXOVGAAUEWMQJM-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-[(2-ethyl-4-methylquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 9192352
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191613
N-(2,5-dimethylphenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191575
N-[3-(diethylsulfamoyl)phenyl]-2-ethyl-4-methylquinoline-3-carboxamide
CID 9192103
[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8907857
ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8611562
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668101
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 9192896
2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649
2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide
CID 167921429
N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 55990925
N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide
CID 9353803

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide (CID 9191497) is N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide is CCc1nc2ccccc2c(C)c1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
The InChIKey is GXOVGAAUEWMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-4-18-20(13(2)17-7-5-6-8-19(17)24-18)21(26)23-16-11-9-15(10-12-16)22-14(3)25/h5-12H,4H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide?
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide is sourced from PubChem (CID 9191497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).