N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide

C20H18N2O4 — CID 100744676

IUPACN-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C20H18N2O4/c1-12-7-13(2)20-15(8-12)22(6-5-16(20)23)10-19(24)21-14-3-4-17-18(9-14)26-11-25-17/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyXDIQHSYGEYLOMO-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.99
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide (PubChem CID 100744676) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
PubChem CID100744676
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C20H18N2O4/c1-12-7-13(2)20-15(8-12)22(6-5-16(20)23)10-19(24)21-14-3-4-17-18(9-14)26-11-25-17/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyXDIQHSYGEYLOMO-UHFFFAOYSA-N
XLogP2.99
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744084
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 28771218
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086674
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(1,3-benzodioxol-5-yl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1138708
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
N-(1,3-benzodioxol-5-yl)-2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)acetamide
CID 18560084
N-(1,3-benzodioxol-5-yl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799354

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide (CID 100744676) is N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide is Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
The InChIKey is XDIQHSYGEYLOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-7-13(2)20-15(8-12)22(6-5-16(20)23)10-19(24)21-14-3-4-17-18(9-14)26-11-25-17/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide has a molecular weight of 350.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 100744676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).