2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide

C15H14N4O2 — CID 167864856

IUPAC2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
SMILESCn1cncc1CC(=O)Nc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C15H14N4O2/c1-19-9-16-8-12(19)7-14(20)18-11-2-3-13-10(6-11)4-5-17-15(13)21/h2-6,8-9H,7H2,1H3,(H,17,21)(H,18,20)
InChIKeyFFVVOJNIICCQMO-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide

2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide (PubChem CID 167864856) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
PubChem CID167864856
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
SMILESCn1cncc1CC(=O)Nc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C15H14N4O2/c1-19-9-16-8-12(19)7-14(20)18-11-2-3-13-10(6-11)4-5-17-15(13)21/h2-6,8-9H,7H2,1H3,(H,17,21)(H,18,20)
InChIKeyFFVVOJNIICCQMO-UHFFFAOYSA-N
XLogP1.44
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
The IUPAC name of 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide (CID 167864856) is 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide is Cn1cncc1CC(=O)Nc1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
The InChIKey is FFVVOJNIICCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19-9-16-8-12(19)7-14(20)18-11-2-3-13-10(6-11)4-5-17-15(13)21/h2-6,8-9H,7H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide is sourced from PubChem (CID 167864856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).