1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one

C21H18N4O — CID 160816183

IUPAC1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one
SMILESCc1nccn1CC(=O)Cc1cc2cc(-c3cccnc3)ccc2cn1
InChIInChI=1S/C21H18N4O/c1-15-23-7-8-25(15)14-21(26)11-20-10-19-9-16(4-5-18(19)13-24-20)17-3-2-6-22-12-17/h2-10,12-13H,11,14H2,1H3
InChIKeySEXZDFFQHCYBAA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one

1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one (PubChem CID 160816183) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one
PubChem CID160816183
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one
SMILESCc1nccn1CC(=O)Cc1cc2cc(-c3cccnc3)ccc2cn1
InChIInChI=1S/C21H18N4O/c1-15-23-7-8-25(15)14-21(26)11-20-10-19-9-16(4-5-18(19)13-24-20)17-3-2-6-22-12-17/h2-10,12-13H,11,14H2,1H3
InChIKeySEXZDFFQHCYBAA-UHFFFAOYSA-N
XLogP3.61
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one?
The IUPAC name of 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one (CID 160816183) is 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one?
The canonical SMILES for 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one is Cc1nccn1CC(=O)Cc1cc2cc(-c3cccnc3)ccc2cn1.
What is the InChIKey of 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one?
The InChIKey is SEXZDFFQHCYBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-23-7-8-25(15)14-21(26)11-20-10-19-9-16(4-5-18(19)13-24-20)17-3-2-6-22-12-17/h2-10,12-13H,11,14H2,1H3.
What are the key properties of 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one?
1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one is sourced from PubChem (CID 160816183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).