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

C26H24N2O3 — CID 10476776

IUPACN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C
InChIInChI=1S/C26H24N2O3/c1-27(17-19-13-7-10-16-22(19)31-3)26(30)24-23(18-11-5-4-6-12-18)20-14-8-9-15-21(20)25(29)28(24)2/h4-16H,17H2,1-3H3
InChIKeyUWXIKPYBYHAWLS-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.49
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide (PubChem CID 10476776) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide
PubChem CID10476776
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C
InChIInChI=1S/C26H24N2O3/c1-27(17-19-13-7-10-16-22(19)31-3)26(30)24-23(18-11-5-4-6-12-18)20-14-8-9-15-21(20)25(29)28(24)2/h4-16H,17H2,1-3H3
InChIKeyUWXIKPYBYHAWLS-UHFFFAOYSA-N
XLogP4.49
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.49
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-1-oxo-4-phenylisoquinoline-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide (CID 10476776) is N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide is COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The InChIKey is UWXIKPYBYHAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-27(17-19-13-7-10-16-22(19)31-3)26(30)24-23(18-11-5-4-6-12-18)20-14-8-9-15-21(20)25(29)28(24)2/h4-16H,17H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.49, 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-1-oxo-4-phenylisoquinoline-3-carboxamide is sourced from PubChem (CID 10476776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).