N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide

C28H26N2O3 — CID 16825382

IUPACN-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C28H26N2O3/c1-17-5-9-21(10-6-17)27(32)24-15-30(25-12-7-18(2)13-23(25)28(24)33)16-26(31)29-22-11-8-19(3)20(4)14-22/h5-15H,16H2,1-4H3,(H,29,31)
InChIKeyMSQHXPKLMZGYAW-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.10
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide (PubChem CID 16825382) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
PubChem CID16825382
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C28H26N2O3/c1-17-5-9-21(10-6-17)27(32)24-15-30(25-12-7-18(2)13-23(25)28(24)33)16-26(31)29-22-11-8-19(3)20(4)14-22/h5-15H,16H2,1-4H3,(H,29,31)
InChIKeyMSQHXPKLMZGYAW-UHFFFAOYSA-N
XLogP5.10
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000663
2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929548
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18560086
N-(1,3-benzodioxol-5-yl)-2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)acetamide
CID 18560084
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368
N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825378
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000648

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide (CID 16825382) is N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide is Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccc(C)cc3c2=O)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The InChIKey is MSQHXPKLMZGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-17-5-9-21(10-6-17)27(32)24-15-30(25-12-7-18(2)13-23(25)28(24)33)16-26(31)29-22-11-8-19(3)20(4)14-22/h5-15H,16H2,1-4H3,(H,29,31).
What are the key properties of N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 16825382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).