2,3-dimethoxy-N-quinolin-8-ylbenzamide

C18H16N2O3 — CID 835942

IUPAC2,3-dimethoxy-N-quinolin-8-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3cccnc23)c1OC
InChIInChI=1S/C18H16N2O3/c1-22-15-10-4-8-13(17(15)23-2)18(21)20-14-9-3-6-12-7-5-11-19-16(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyIZZXAZGVGRGKBW-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.50
Rot. Bonds4

About 2,3-dimethoxy-N-quinolin-8-ylbenzamide

2,3-dimethoxy-N-quinolin-8-ylbenzamide (PubChem CID 835942) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2,3-dimethoxy-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-quinolin-8-ylbenzamide
PubChem CID835942
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2,3-dimethoxy-N-quinolin-8-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3cccnc23)c1OC
InChIInChI=1S/C18H16N2O3/c1-22-15-10-4-8-13(17(15)23-2)18(21)20-14-9-3-6-12-7-5-11-19-16(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyIZZXAZGVGRGKBW-UHFFFAOYSA-N
XLogP3.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-quinolin-8-ylbenzamide?
The IUPAC name of 2,3-dimethoxy-N-quinolin-8-ylbenzamide (CID 835942) is 2,3-dimethoxy-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2,3-dimethoxy-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2,3-dimethoxy-N-quinolin-8-ylbenzamide is COc1cccc(C(=O)Nc2cccc3cccnc23)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-quinolin-8-ylbenzamide?
The InChIKey is IZZXAZGVGRGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-15-10-4-8-13(17(15)23-2)18(21)20-14-9-3-6-12-7-5-11-19-16(12)14/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2,3-dimethoxy-N-quinolin-8-ylbenzamide?
2,3-dimethoxy-N-quinolin-8-ylbenzamide has a molecular weight of 308.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 835942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).