N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide

C20H18N2O3 — CID 51283562

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C20H18N2O3/c1-12-3-5-17-15(7-12)9-16(13(2)22-17)20(23)21-10-14-4-6-18-19(8-14)25-11-24-18/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyALKAGMQUVLAUJQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.51
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide (PubChem CID 51283562) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
PubChem CID51283562
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C20H18N2O3/c1-12-3-5-17-15(7-12)9-16(13(2)22-17)20(23)21-10-14-4-6-18-19(8-14)25-11-24-18/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyALKAGMQUVLAUJQ-UHFFFAOYSA-N
XLogP3.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732120
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175390
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
CID 51283741
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 1345651
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide (CID 51283562) is N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is ALKAGMQUVLAUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-3-5-17-15(7-12)9-16(13(2)22-17)20(23)21-10-14-4-6-18-19(8-14)25-11-24-18/h3-9H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 51283562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).