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

C27H26N2O3 — CID 11743207

IUPACN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C
InChIInChI=1S/C27H26N2O3/c1-18-11-5-7-13-20(18)24-21-14-8-9-15-22(21)26(30)29(3)25(24)27(31)28(2)17-19-12-6-10-16-23(19)32-4/h5-16H,17H2,1-4H3
InChIKeyCZJRZIRZQQMHKI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.79
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide (PubChem CID 11743207) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
PubChem CID11743207
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C
InChIInChI=1S/C27H26N2O3/c1-18-11-5-7-13-20(18)24-21-14-8-9-15-22(21)26(30)29(3)25(24)27(31)28(2)17-19-12-6-10-16-23(19)32-4/h5-16H,17H2,1-4H3
InChIKeyCZJRZIRZQQMHKI-UHFFFAOYSA-N
XLogP4.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide (CID 11743207) is N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide is COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The InChIKey is CZJRZIRZQQMHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-18-11-5-7-13-20(18)24-21-14-8-9-15-22(21)26(30)29(3)25(24)27(31)28(2)17-19-12-6-10-16-23(19)32-4/h5-16H,17H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 11743207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).