N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide

C20H18N2O4 — CID 30131932

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21
InChIInChI=1S/C20H18N2O4/c1-2-22-11-15(19(23)14-5-3-4-6-16(14)22)20(24)21-10-13-7-8-17-18(9-13)26-12-25-17/h3-9,11H,2,10,12H2,1H3,(H,21,24)
InChIKeyCUMJZILEBXWQET-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.68
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide (PubChem CID 30131932) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
PubChem CID30131932
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21
InChIInChI=1S/C20H18N2O4/c1-2-22-11-15(19(23)14-5-3-4-6-16(14)22)20(24)21-10-13-7-8-17-18(9-13)26-12-25-17/h3-9,11H,2,10,12H2,1H3,(H,21,24)
InChIKeyCUMJZILEBXWQET-UHFFFAOYSA-N
XLogP2.68
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859318
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylindol-3-yl)sulfanylacetamide
CID 5070966
N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30134009
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 93119937
3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
CID 8022644
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42246054
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955
N-(1,3-benzodioxol-5-ylmethyl)-2-[7-ethyl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2194201
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-1-oxoisoquinoline-4-carboxamide
CID 171987505
methyl (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-phenylpropanoate
CID 56698811
N-(1,3-benzodioxol-5-ylmethyl)-1-hexylindazole-3-carboxamide
CID 170909402

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide (CID 30131932) is N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is CUMJZILEBXWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-22-11-15(19(23)14-5-3-4-6-16(14)22)20(24)21-10-13-7-8-17-18(9-13)26-12-25-17/h3-9,11H,2,10,12H2,1H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.68, 4 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-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30131932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).