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

C19H18N2O2 — CID 15987601

IUPACN-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H18N2O2/c1-3-13-8-4-7-11-17(13)20-18(22)16-12-21(2)19(23)15-10-6-5-9-14(15)16/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyWMELIKCSDUYBEB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.35
Rot. Bonds3

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

N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 15987601) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID15987601
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H18N2O2/c1-3-13-8-4-7-11-17(13)20-18(22)16-12-21(2)19(23)15-10-6-5-9-14(15)16/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyWMELIKCSDUYBEB-UHFFFAOYSA-N
XLogP3.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 15987601) is N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is CCc1ccccc1NC(=O)c1cn(C)c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is WMELIKCSDUYBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-13-8-4-7-11-17(13)20-18(22)16-12-21(2)19(23)15-10-6-5-9-14(15)16/h4-12H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 15987601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).