3,4,5-trimethoxy-N-quinolin-8-ylbenzamide

C19H18N2O4 — CID 849591

IUPAC3,4,5-trimethoxy-N-quinolin-8-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-13(11-16(24-2)18(15)25-3)19(22)21-14-8-4-6-12-7-5-9-20-17(12)14/h4-11H,1-3H3,(H,21,22)
InChIKeyKDVVELTYOWGAFG-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.51
Rot. Bonds5

About 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide

3,4,5-trimethoxy-N-quinolin-8-ylbenzamide (PubChem CID 849591) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-quinolin-8-ylbenzamide
PubChem CID849591
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3,4,5-trimethoxy-N-quinolin-8-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-13(11-16(24-2)18(15)25-3)19(22)21-14-8-4-6-12-7-5-9-20-17(12)14/h4-11H,1-3H3,(H,21,22)
InChIKeyKDVVELTYOWGAFG-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

Analyze 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide (CID 849591) is 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide is COc1cc(C(=O)Nc2cccc3cccnc23)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide?
The InChIKey is KDVVELTYOWGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-15-10-13(11-16(24-2)18(15)25-3)19(22)21-14-8-4-6-12-7-5-9-20-17(12)14/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-quinolin-8-ylbenzamide?
3,4,5-trimethoxy-N-quinolin-8-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-8-ylbenzamide is sourced from PubChem (CID 849591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).