N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide

C26H24N2O2 — CID 10453364

IUPACN-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)N(C)Cc2ccccc2)n(C)c(=O)c2ccccc12
InChIInChI=1S/C26H24N2O2/c1-18-11-7-8-14-20(18)23-21-15-9-10-16-22(21)25(29)28(3)24(23)26(30)27(2)17-19-12-5-4-6-13-19/h4-16H,17H2,1-3H3
InChIKeyPKPZVRMFRWAKJD-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.79
Rot. Bonds4

About N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide

N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide (PubChem CID 10453364) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
PubChem CID10453364
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)N(C)Cc2ccccc2)n(C)c(=O)c2ccccc12
InChIInChI=1S/C26H24N2O2/c1-18-11-7-8-14-20(18)23-21-15-9-10-16-22(21)25(29)28(3)24(23)26(30)27(2)17-19-12-5-4-6-13-19/h4-16H,17H2,1-3H3
InChIKeyPKPZVRMFRWAKJD-UHFFFAOYSA-N
XLogP4.79
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide (CID 10453364) is N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide is Cc1ccccc1-c1c(C(=O)N(C)Cc2ccccc2)n(C)c(=O)c2ccccc12.
What is the InChIKey of N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
The InChIKey is PKPZVRMFRWAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-11-7-8-14-20(18)23-21-15-9-10-16-22(21)25(29)28(3)24(23)26(30)27(2)17-19-12-5-4-6-13-19/h4-16H,17H2,1-3H3.
What are the key properties of N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide?
N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 10453364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).