N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C26H26N2O4 — CID 4152946

IUPACN-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2C)cc1
InChIInChI=1S/C26H26N2O4/c1-16-9-14-22(32-4)21(15-16)27-25(29)23-19-7-5-6-8-20(19)26(30)28(2)24(23)17-10-12-18(31-3)13-11-17/h5-15,23-24H,1-4H3,(H,27,29)
InChIKeyHTTLFEZENOANPZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.56
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 4152946) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID4152946
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2C)cc1
InChIInChI=1S/C26H26N2O4/c1-16-9-14-22(32-4)21(15-16)27-25(29)23-19-7-5-6-8-20(19)26(30)28(2)24(23)17-10-12-18(31-3)13-11-17/h5-15,23-24H,1-4H3,(H,27,29)
InChIKeyHTTLFEZENOANPZ-UHFFFAOYSA-N
XLogP4.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 4152946) is N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COc1ccc(C2C(C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2C)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is HTTLFEZENOANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-16-9-14-22(32-4)21(15-16)27-25(29)23-19-7-5-6-8-20(19)26(30)28(2)24(23)17-10-12-18(31-3)13-11-17/h5-15,23-24H,1-4H3,(H,27,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 4152946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).