N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide

C19H18N2O2 — CID 22334703

IUPACN-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-3-21(14-9-5-4-6-10-14)19(23)17-13-20(2)18(22)16-12-8-7-11-15(16)17/h4-13H,3H2,1-2H3
InChIKeyGSPFRTQMCZGYIZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.21
Rot. Bonds3

About N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide

N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide (PubChem CID 22334703) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
PubChem CID22334703
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-3-21(14-9-5-4-6-10-14)19(23)17-13-20(2)18(22)16-12-8-7-11-15(16)17/h4-13H,3H2,1-2H3
InChIKeyGSPFRTQMCZGYIZ-UHFFFAOYSA-N
XLogP3.21
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide (CID 22334703) is N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide is CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
The InChIKey is GSPFRTQMCZGYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-21(14-9-5-4-6-10-14)19(23)17-13-20(2)18(22)16-12-8-7-11-15(16)17/h4-13H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide?
N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide is sourced from PubChem (CID 22334703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).