2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C24H22N2O3 — CID 152538857

IUPAC2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cccc(C)c3)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H22N2O3/c1-16-6-5-7-17(14-16)25-23(27)22-15-26(18-10-12-19(29-2)13-11-18)24(28)21-9-4-3-8-20(21)22/h3-14,22H,15H2,1-2H3,(H,25,27)
InChIKeyYLCNSPXKZAWOKW-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 152538857) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID152538857
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cccc(C)c3)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H22N2O3/c1-16-6-5-7-17(14-16)25-23(27)22-15-26(18-10-12-19(29-2)13-11-18)24(28)21-9-4-3-8-20(21)22/h3-14,22H,15H2,1-2H3,(H,25,27)
InChIKeyYLCNSPXKZAWOKW-UHFFFAOYSA-N
XLogP4.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-2-cyclopropyl-N-(4-methoxyphenyl)-3-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 93019803
(3S,4R)-2-cyclopropyl-N-(4-methoxyphenyl)-3-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 93019801
1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
CID 40912872
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
(3S,4S)-N-(3-acetamidophenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 51971115
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569025
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35504330
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 23820935
(4R)-1-oxo-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 89418454

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 152538857) is 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COc1ccc(N2CC(C(=O)Nc3cccc(C)c3)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is YLCNSPXKZAWOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-6-5-7-17(14-16)25-23(27)22-15-26(18-10-12-19(29-2)13-11-18)24(28)21-9-4-3-8-20(21)22/h3-14,22H,15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 152538857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).