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

C19H16N2O4 — CID 110851796

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide
SMILESCOc1cnc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O4/c1-23-17-10-20-14-5-3-2-4-13(14)18(17)19(22)21-9-12-6-7-15-16(8-12)25-11-24-15/h2-8,10H,9,11H2,1H3,(H,21,22)
InChIKeyUEZMHMZZLOCCMS-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.90
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide (PubChem CID 110851796) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide
PubChem CID110851796
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide
SMILESCOc1cnc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O4/c1-23-17-10-20-14-5-3-2-4-13(14)18(17)19(22)21-9-12-6-7-15-16(8-12)25-11-24-15/h2-8,10H,9,11H2,1H3,(H,21,22)
InChIKeyUEZMHMZZLOCCMS-UHFFFAOYSA-N
XLogP2.90
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 38210421
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
CID 2081460
5-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282177
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112992842
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110767985
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 25058216
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-methoxyphenyl)propanediamide
CID 108947229
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431122
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-4-hydroxy-5-methoxybenzamide
CID 17472841
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003447
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
CID 1297066

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide (CID 110851796) is N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide is COc1cnc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide?
The InChIKey is UEZMHMZZLOCCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-23-17-10-20-14-5-3-2-4-13(14)18(17)19(22)21-9-12-6-7-15-16(8-12)25-11-24-15/h2-8,10H,9,11H2,1H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.90, 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)-3-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 110851796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).