N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide

C21H20N2O3 — CID 110680283

IUPACN-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2c(=O)c(C)cc3ccccc32)c1
InChIInChI=1S/C21H20N2O3/c1-14-12-17-6-3-4-9-19(17)23(21(14)26)11-10-20(25)22-18-8-5-7-16(13-18)15(2)24/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyIIMGJKFCNOXIML-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.54
Rot. Bonds5

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

N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 110680283) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID110680283
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2c(=O)c(C)cc3ccccc32)c1
InChIInChI=1S/C21H20N2O3/c1-14-12-17-6-3-4-9-19(17)23(21(14)26)11-10-20(25)22-18-8-5-7-16(13-18)15(2)24/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyIIMGJKFCNOXIML-UHFFFAOYSA-N
XLogP3.54
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680279
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300
N-(4-acetylphenyl)-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680389
3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
CID 110680287
N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 84577861
N-(3-methoxyphenyl)-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680381
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
2-(3-methyl-2-oxoquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 110680370
N-(3-acetylphenyl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 983878
N,N-diethyl-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680260
4-(3-acetylanilino)-4-oxobutanoate
CID 3285979
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide (CID 110680283) is N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide is CC(=O)c1cccc(NC(=O)CCn2c(=O)c(C)cc3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is IIMGJKFCNOXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-12-17-6-3-4-9-19(17)23(21(14)26)11-10-20(25)22-18-8-5-7-16(13-18)15(2)24/h3-9,12-13H,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 348.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 110680283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).