N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide

C15H18N2O2 — CID 53015565

IUPACN-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
SMILESCNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10(2)8-17-9-13(14(18)16-3)11-6-4-5-7-12(11)15(17)19/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyZDCVUYDVAODJFU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide

N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 53015565) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID53015565
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
SMILESCNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10(2)8-17-9-13(14(18)16-3)11-6-4-5-7-12(11)15(17)19/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyZDCVUYDVAODJFU-UHFFFAOYSA-N
XLogP2.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide (CID 53015565) is N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide is CNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is ZDCVUYDVAODJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)8-17-9-13(14(18)16-3)11-6-4-5-7-12(11)15(17)19/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide?
N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 53015565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).