N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide

C25H22N2O3 — CID 10408564

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C
InChIInChI=1S/C25H22N2O3/c1-27-23(24(28)26-16-18-12-6-9-15-21(18)30-2)22(17-10-4-3-5-11-17)19-13-7-8-14-20(19)25(27)29/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyNYYCJMICKJQGAQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.14
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide

N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide (PubChem CID 10408564) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
PubChem CID10408564
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C
InChIInChI=1S/C25H22N2O3/c1-27-23(24(28)26-16-18-12-6-9-15-21(18)30-2)22(17-10-4-3-5-11-17)19-13-7-8-14-20(19)25(27)29/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyNYYCJMICKJQGAQ-UHFFFAOYSA-N
XLogP4.14
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.14
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-1-oxo-4-phenylisoquinoline-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide (CID 10408564) is N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide is COc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The InChIKey is NYYCJMICKJQGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-27-23(24(28)26-16-18-12-6-9-15-21(18)30-2)22(17-10-4-3-5-11-17)19-13-7-8-14-20(19)25(27)29/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.14, 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-1-oxo-4-phenylisoquinoline-3-carboxamide is sourced from PubChem (CID 10408564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).