N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide

C19H18N2O4 — CID 134090589

IUPACN-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)N(C)C(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C19H18N2O4/c1-11-10-12(25-3)8-9-15(11)20-17(22)16-13-6-4-5-7-14(13)18(23)21(2)19(16)24/h4-10,16H,1-3H3,(H,20,22)
InChIKeyZEWAWMZMVMIULE-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.34
Rot. Bonds3

About N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide

N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide (PubChem CID 134090589) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
PubChem CID134090589
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)N(C)C(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C19H18N2O4/c1-11-10-12(25-3)8-9-15(11)20-17(22)16-13-6-4-5-7-14(13)18(23)21(2)19(16)24/h4-10,16H,1-3H3,(H,20,22)
InChIKeyZEWAWMZMVMIULE-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide (CID 134090589) is N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide is COc1ccc(NC(=O)C2C(=O)N(C)C(=O)c3ccccc32)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
The InChIKey is ZEWAWMZMVMIULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-10-12(25-3)8-9-15(11)20-17(22)16-13-6-4-5-7-14(13)18(23)21(2)19(16)24/h4-10,16H,1-3H3,(H,20,22).
What are the key properties of N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide?
N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-2-methyl-1,3-dioxo-4H-isoquinoline-4-carboxamide is sourced from PubChem (CID 134090589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).