N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide

C19H18N2O3 — CID 6624925

IUPACN-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-21-12-17(15-5-3-4-6-16(15)19(21)23)18(22)20-11-13-7-9-14(24-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyVMEYJUUOJLTZCD-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.48
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide

N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 6624925) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID6624925
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-21-12-17(15-5-3-4-6-16(15)19(21)23)18(22)20-11-13-7-9-14(24-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyVMEYJUUOJLTZCD-UHFFFAOYSA-N
XLogP2.48
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-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

Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
3-benzyl-N-[(4-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568390
2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 137031826
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71829009
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15996697
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 71593748

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 6624925) is N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide is COc1ccc(CNC(=O)c2cn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is VMEYJUUOJLTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-21-12-17(15-5-3-4-6-16(15)19(21)23)18(22)20-11-13-7-9-14(24-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 6624925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).