3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide

C20H24N2O4 — CID 130360506

IUPAC3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide
SMILESCOc1cc(OC)c(C)c(C(=O)NC2CCCc3c2ccc(=O)n3C)c1
InChIInChI=1S/C20H24N2O4/c1-12-15(10-13(25-3)11-18(12)26-4)20(24)21-16-6-5-7-17-14(16)8-9-19(23)22(17)2/h8-11,16H,5-7H2,1-4H3,(H,21,24)
InChIKeyAHGUOWIGDFNFQY-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.52
Rot. Bonds4

About 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide

3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide (PubChem CID 130360506) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide
PubChem CID130360506
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide
SMILESCOc1cc(OC)c(C)c(C(=O)NC2CCCc3c2ccc(=O)n3C)c1
InChIInChI=1S/C20H24N2O4/c1-12-15(10-13(25-3)11-18(12)26-4)20(24)21-16-6-5-7-17-14(16)8-9-19(23)22(17)2/h8-11,16H,5-7H2,1-4H3,(H,21,24)
InChIKeyAHGUOWIGDFNFQY-UHFFFAOYSA-N
XLogP2.52
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide (CID 130360506) is 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide is COc1cc(OC)c(C)c(C(=O)NC2CCCc3c2ccc(=O)n3C)c1.
What is the InChIKey of 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide?
The InChIKey is AHGUOWIGDFNFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-15(10-13(25-3)11-18(12)26-4)20(24)21-16-6-5-7-17-14(16)8-9-19(23)22(17)2/h8-11,16H,5-7H2,1-4H3,(H,21,24).
What are the key properties of 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide?
3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide is sourced from PubChem (CID 130360506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).