N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide

C30H28N2O8 — CID 2138160

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
SMILESCCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C30H28N2O8/c1-4-38-20-8-5-18(6-9-20)29(34)22-16-32(23-15-26(37-3)25(36-2)14-21(23)30(22)35)17-28(33)31-19-7-10-24-27(13-19)40-12-11-39-24/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,31,33)
InChIKeyOZIJDJOWGDEWSK-UHFFFAOYSA-N
MW544.56 g/mol
LogP4.06
Rot. Bonds9

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide (PubChem CID 2138160) has the molecular formula C30H28N2O8 and a molecular weight of 544.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
PubChem CID2138160
Molecular FormulaC30H28N2O8
Molecular Weight544.56 g/mol
Exact Mass544.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
SMILESCCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C30H28N2O8/c1-4-38-20-8-5-18(6-9-20)29(34)22-16-32(23-15-26(37-3)25(36-2)14-21(23)30(22)35)17-28(33)31-19-7-10-24-27(13-19)40-12-11-39-24/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,31,33)
InChIKeyOZIJDJOWGDEWSK-UHFFFAOYSA-N
XLogP4.06
TPSA114.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2136501
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-fluoro-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 2137960
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 2136173
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
CID 2135022
2-[8-(4-methoxybenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136005
2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136321
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000648
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53000739

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide (CID 2138160) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide is CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc(OC)c(OC)cc3c2=O)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide?
The InChIKey is OZIJDJOWGDEWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O8/c1-4-38-20-8-5-18(6-9-20)29(34)22-16-32(23-15-26(37-3)25(36-2)14-21(23)30(22)35)17-28(33)31-19-7-10-24-27(13-19)40-12-11-39-24/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,31,33).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide has a molecular weight of 544.56 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-ethoxybenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2138160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).