3,4,5-trimethoxy-N-quinolin-5-ylbenzamide

C19H18N2O4 — CID 935115

IUPAC3,4,5-trimethoxy-N-quinolin-5-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-10-12(11-17(24-2)18(16)25-3)19(22)21-15-8-4-7-14-13(15)6-5-9-20-14/h4-11H,1-3H3,(H,21,22)
InChIKeyDWJVKOVVZRQBFA-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.51
Rot. Bonds5

About 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide

3,4,5-trimethoxy-N-quinolin-5-ylbenzamide (PubChem CID 935115) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-quinolin-5-ylbenzamide
PubChem CID935115
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3,4,5-trimethoxy-N-quinolin-5-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-10-12(11-17(24-2)18(16)25-3)19(22)21-15-8-4-7-14-13(15)6-5-9-20-14/h4-11H,1-3H3,(H,21,22)
InChIKeyDWJVKOVVZRQBFA-UHFFFAOYSA-N
XLogP3.51
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

A-740003
CID 72812793
6-(3',4',5'-Trimethoxybenzoyl)quinoline
CID 45139642
3,4,5-trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)hexyl)-benzamide
CID 16094856
3,4,5-trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)octyl)-benzamide
CID 16094857
3,4,5-trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)heptyl)-benzamide
CID 16094873
Tacrine derivative 15a
CID 11854653
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]quinoline-6-carboxamide
CID 117996828
CID 45139825
CID 45139825
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 787253

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide (CID 935115) is 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide is COc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide?
The InChIKey is DWJVKOVVZRQBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-10-12(11-17(24-2)18(16)25-3)19(22)21-15-8-4-7-14-13(15)6-5-9-20-14/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide?
3,4,5-trimethoxy-N-quinolin-5-ylbenzamide has a molecular weight of 338.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 935115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).