N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide

C17H19N3O2 — CID 99699558

IUPACN'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide
SMILESC=C(C)CN(CC)C(=O)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C17H19N3O2/c1-4-20(11-12(2)3)17(22)16(21)19-15-7-5-6-13-10-18-9-8-14(13)15/h5-10H,2,4,11H2,1,3H3,(H,19,21)
InChIKeyDWMXKJZTUPHFFR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds4

About N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide

N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide (PubChem CID 99699558) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide
PubChem CID99699558
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide
SMILESC=C(C)CN(CC)C(=O)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C17H19N3O2/c1-4-20(11-12(2)3)17(22)16(21)19-15-7-5-6-13-10-18-9-8-14(13)15/h5-10H,2,4,11H2,1,3H3,(H,19,21)
InChIKeyDWMXKJZTUPHFFR-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-(2-methylprop-2-enyl)-N-(3-methyl-4-pyridinyl)oxamide
CID 126832207
N'-ethyl-N-(2-methoxyphenyl)-N'-(2-methylprop-2-enyl)oxamide
CID 91650552
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
N,N-diethylisoquinoline-5-carboxamide
CID 86202974
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
N-isoquinolin-5-ylimidazole-1-carboxamide
CID 81257687
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide?
The IUPAC name of N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide (CID 99699558) is N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide.
What is the SMILES notation for N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide?
The canonical SMILES for N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide is C=C(C)CN(CC)C(=O)C(=O)Nc1cccc2cnccc12.
What is the InChIKey of N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide?
The InChIKey is DWMXKJZTUPHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-20(11-12(2)3)17(22)16(21)19-15-7-5-6-13-10-18-9-8-14(13)15/h5-10H,2,4,11H2,1,3H3,(H,19,21).
What are the key properties of N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide?
N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide has a molecular weight of 297.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-isoquinolin-5-yl-N'-(2-methylprop-2-enyl)oxamide is sourced from PubChem (CID 99699558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).