N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide

C28H24N2O6 — CID 2135022

IUPACN-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C28H24N2O6/c1-3-34-20-10-8-19(9-11-20)29-26(31)15-30-14-22(27(32)18-6-4-17(2)5-7-18)28(33)21-12-24-25(13-23(21)30)36-16-35-24/h4-14H,3,15-16H2,1-2H3,(H,29,31)
InChIKeyAYVOCNBZNSAWFK-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.31
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide (PubChem CID 2135022) has the molecular formula C28H24N2O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
PubChem CID2135022
Molecular FormulaC28H24N2O6
Molecular Weight484.51 g/mol
Exact Mass484.16
IUPAC NameN-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C28H24N2O6/c1-3-34-20-10-8-19(9-11-20)29-26(31)15-30-14-22(27(32)18-6-4-17(2)5-7-18)28(33)21-12-24-25(13-23(21)30)36-16-35-24/h4-14H,3,15-16H2,1-2H3,(H,29,31)
InChIKeyAYVOCNBZNSAWFK-UHFFFAOYSA-N
XLogP4.31
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
N-(1,3-benzodioxol-5-yl)-2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560350
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2138160
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
N-(1,3-benzodioxol-5-yl)-2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)acetamide
CID 18560084
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 2134969
N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53000893

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide (CID 2135022) is N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide is CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCO4)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide?
The InChIKey is AYVOCNBZNSAWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O6/c1-3-34-20-10-8-19(9-11-20)29-26(31)15-30-14-22(27(32)18-6-4-17(2)5-7-18)28(33)21-12-24-25(13-23(21)30)36-16-35-24/h4-14H,3,15-16H2,1-2H3,(H,29,31).
What are the key properties of N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide?
N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide has a molecular weight of 484.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide is sourced from PubChem (CID 2135022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).