N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide

C26H24N2O3 — CID 10386984

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C
InChIInChI=1S/C26H24N2O3/c1-17-10-4-6-12-19(17)23-20-13-7-8-14-21(20)26(30)28(2)24(23)25(29)27-16-18-11-5-9-15-22(18)31-3/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyRPNSLZSITFBVPE-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.45
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide

N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide (PubChem CID 10386984) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
PubChem CID10386984
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C
InChIInChI=1S/C26H24N2O3/c1-17-10-4-6-12-19(17)23-20-13-7-8-14-21(20)26(30)28(2)24(23)25(29)27-16-18-11-5-9-15-22(18)31-3/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyRPNSLZSITFBVPE-UHFFFAOYSA-N
XLogP4.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide (CID 10386984) is N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide is COc1ccccc1CNC(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The InChIKey is RPNSLZSITFBVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-10-4-6-12-19(17)23-20-13-7-8-14-21(20)26(30)28(2)24(23)25(29)27-16-18-11-5-9-15-22(18)31-3/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 10386984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).