N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide

C18H14N2O4 — CID 33313694

IUPACN-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C18H14N2O4/c1-22-13-4-6-14-11(8-13)2-5-15(20-14)18(21)19-12-3-7-16-17(9-12)24-10-23-16/h2-9H,10H2,1H3,(H,19,21)
InChIKeyORFHNVYGXYLJEM-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.22
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide

N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide (PubChem CID 33313694) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
PubChem CID33313694
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C18H14N2O4/c1-22-13-4-6-14-11(8-13)2-5-15(20-14)18(21)19-12-3-7-16-17(9-12)24-10-23-16/h2-9H,10H2,1H3,(H,19,21)
InChIKeyORFHNVYGXYLJEM-UHFFFAOYSA-N
XLogP3.22
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336333
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359207
N-[3-(ethylcarbamoyl)phenyl]-6-methoxyquinoline-2-carboxamide
CID 17410272
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide (CID 33313694) is N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide?
The InChIKey is ORFHNVYGXYLJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-22-13-4-6-14-11(8-13)2-5-15(20-14)18(21)19-12-3-7-16-17(9-12)24-10-23-16/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 3.22, 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)-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 33313694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).