2,3,4-trimethoxy-N-quinolin-2-ylbenzamide

C19H18N2O4 — CID 2994144

IUPAC2,3,4-trimethoxy-N-quinolin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-9-13(17(24-2)18(15)25-3)19(22)21-16-11-8-12-6-4-5-7-14(12)20-16/h4-11H,1-3H3,(H,20,21,22)
InChIKeyXCMSBNYSJVXYQM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.51
Rot. Bonds5

About 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide

2,3,4-trimethoxy-N-quinolin-2-ylbenzamide (PubChem CID 2994144) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-quinolin-2-ylbenzamide
PubChem CID2994144
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2,3,4-trimethoxy-N-quinolin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-9-13(17(24-2)18(15)25-3)19(22)21-16-11-8-12-6-4-5-7-14(12)20-16/h4-11H,1-3H3,(H,20,21,22)
InChIKeyXCMSBNYSJVXYQM-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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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
The IUPAC name of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide (CID 2994144) is 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide is COc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
The InChIKey is XCMSBNYSJVXYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-15-10-9-13(17(24-2)18(15)25-3)19(22)21-16-11-8-12-6-4-5-7-14(12)20-16/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
2,3,4-trimethoxy-N-quinolin-2-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 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 2994144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).