N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide

C28H26N2O5 — CID 16825378

IUPACN-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)c1
InChIInChI=1S/C28H26N2O5/c1-17-5-8-19(9-6-17)27(32)22-15-30(24-11-7-18(2)13-21(24)28(22)33)16-26(31)29-23-14-20(34-3)10-12-25(23)35-4/h5-15H,16H2,1-4H3,(H,29,31)
InChIKeySDFNBFXIAYTUSP-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.51
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide (PubChem CID 16825378) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
PubChem CID16825378
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)c1
InChIInChI=1S/C28H26N2O5/c1-17-5-8-19(9-6-17)27(32)22-15-30(24-11-7-18(2)13-21(24)28(22)33)16-26(31)29-23-14-20(34-3)10-12-25(23)35-4/h5-15H,16H2,1-4H3,(H,29,31)
InChIKeySDFNBFXIAYTUSP-UHFFFAOYSA-N
XLogP4.51
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000629
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825382
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
N-(2,5-dimethoxyphenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929658
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 16825299
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
2-[3-(3,4-dimethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136196
N-(2-fluoro-5-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 52998478
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide (CID 16825378) is N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
The InChIKey is SDFNBFXIAYTUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-17-5-8-19(9-6-17)27(32)22-15-30(24-11-7-18(2)13-21(24)28(22)33)16-26(31)29-23-14-20(34-3)10-12-25(23)35-4/h5-15H,16H2,1-4H3,(H,29,31).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 16825378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).