3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide

C20H20N2O5 — CID 2865242

IUPAC3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ncccc2c1
InChIInChI=1S/C20H20N2O5/c1-24-14-8-12-6-5-7-21-18(12)15(11-14)22-20(23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,22,23)
InChIKeyYQRGRWCDTOCJJK-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.52
Rot. Bonds6

About 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide

3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide (PubChem CID 2865242) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide
PubChem CID2865242
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ncccc2c1
InChIInChI=1S/C20H20N2O5/c1-24-14-8-12-6-5-7-21-18(12)15(11-14)22-20(23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,22,23)
InChIKeyYQRGRWCDTOCJJK-UHFFFAOYSA-N
XLogP3.52
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide (CID 2865242) is 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide is COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ncccc2c1.
What is the InChIKey of 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide?
The InChIKey is YQRGRWCDTOCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-14-8-12-6-5-7-21-18(12)15(11-14)22-20(23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,22,23).
What are the key properties of 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide?
3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide has a molecular weight of 368.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(6-methoxyquinolin-8-yl)benzamide is sourced from PubChem (CID 2865242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).