N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide

C21H22N2O2 — CID 39763926

IUPACN-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCn1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C21H22N2O2/c1-3-16-8-4-6-10-18(16)22-20(24)12-13-23-19-11-7-5-9-17(19)15(2)14-21(23)25/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyIHAVHABVASYWHH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.90
Rot. Bonds5

About N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide

N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 39763926) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID39763926
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCn1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C21H22N2O2/c1-3-16-8-4-6-10-18(16)22-20(24)12-13-23-19-11-7-5-9-17(19)15(2)14-21(23)25/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyIHAVHABVASYWHH-UHFFFAOYSA-N
XLogP3.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943
3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
N-(2,5-dichlorophenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763973
N-(2,4-dimethoxyphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763982
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39764289
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
N-(2,3-dichlorophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767922
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide (CID 39763926) is N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide is CCc1ccccc1NC(=O)CCn1c(=O)cc(C)c2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is IHAVHABVASYWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-16-8-4-6-10-18(16)22-20(24)12-13-23-19-11-7-5-9-17(19)15(2)14-21(23)25/h4-11,14H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide?
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 39763926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).