N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide

C18H20N2O4 — CID 2982754

IUPACN-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILESCOc1ccc(C)c(NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)c1
InChIInChI=1S/C18H20N2O4/c1-10-6-7-11(24-2)8-14(10)20-18(23)12-9-16(22)19-13-4-3-5-15(21)17(12)13/h6-8,12H,3-5,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySCADXOTUDJDJAA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.09
Rot. Bonds3

About N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide

N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide (PubChem CID 2982754) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
PubChem CID2982754
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILESCOc1ccc(C)c(NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)c1
InChIInChI=1S/C18H20N2O4/c1-10-6-7-11(24-2)8-14(10)20-18(23)12-9-16(22)19-13-4-3-5-15(21)17(12)13/h6-8,12H,3-5,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySCADXOTUDJDJAA-UHFFFAOYSA-N
XLogP2.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The IUPAC name of N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide (CID 2982754) is N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide.
What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The canonical SMILES for N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide is COc1ccc(C)c(NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)c1.
What is the InChIKey of N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The InChIKey is SCADXOTUDJDJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-10-6-7-11(24-2)8-14(10)20-18(23)12-9-16(22)19-13-4-3-5-15(21)17(12)13/h6-8,12H,3-5,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide is sourced from PubChem (CID 2982754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).