3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide

C20H20N2O3 — CID 110733874

IUPAC3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)Cc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O3/c1-22(13-14-8-15-6-4-5-7-19(15)21-12-14)20(23)16-9-17(24-2)11-18(10-16)25-3/h4-12H,13H2,1-3H3
InChIKeyJGOQCTGSJAAWRE-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.52
Rot. Bonds5

About 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide

3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide (PubChem CID 110733874) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
PubChem CID110733874
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)Cc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O3/c1-22(13-14-8-15-6-4-5-7-19(15)21-12-14)20(23)16-9-17(24-2)11-18(10-16)25-3/h4-12H,13H2,1-3H3
InChIKeyJGOQCTGSJAAWRE-UHFFFAOYSA-N
XLogP3.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 95230216
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
CID 20740497
2-amino-N-[(4-methoxyphenyl)methyl]-N-quinolin-3-ylpyrimidine-5-carboxamide
CID 118961847
N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide
CID 91781862
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide (CID 110733874) is 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)N(C)Cc2cnc3ccccc3c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
The InChIKey is JGOQCTGSJAAWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(13-14-8-15-6-4-5-7-19(15)21-12-14)20(23)16-9-17(24-2)11-18(10-16)25-3/h4-12H,13H2,1-3H3.
What are the key properties of 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide is sourced from PubChem (CID 110733874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).