2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide

C20H20N2O4 — CID 110666083

IUPAC2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C20H20N2O4/c1-12-9-14-10-13(7-8-15(14)22-19(12)23)11-21-20(24)18-16(25-2)5-4-6-17(18)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXGWQKHHPGPUQO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds5

About 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide

2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide (PubChem CID 110666083) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
PubChem CID110666083
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C20H20N2O4/c1-12-9-14-10-13(7-8-15(14)22-19(12)23)11-21-20(24)18-16(25-2)5-4-6-17(18)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXGWQKHHPGPUQO-UHFFFAOYSA-N
XLogP2.78
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide (CID 110666083) is 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide is COc1cccc(OC)c1C(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1.
What is the InChIKey of 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
The InChIKey is GXGWQKHHPGPUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-9-14-10-13(7-8-15(14)22-19(12)23)11-21-20(24)18-16(25-2)5-4-6-17(18)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide?
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide is sourced from PubChem (CID 110666083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).