2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one

C13H11N3O2 — CID 70078077

IUPAC2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3ncc[nH]3)[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-18-8-2-3-9-10(6-8)16-11(7-12(9)17)13-14-4-5-15-13/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyKONOCJBYDRFLOK-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one

2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one (PubChem CID 70078077) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one
PubChem CID70078077
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3ncc[nH]3)[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-18-8-2-3-9-10(6-8)16-11(7-12(9)17)13-14-4-5-15-13/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyKONOCJBYDRFLOK-UHFFFAOYSA-N
XLogP1.93
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one (CID 70078077) is 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3ncc[nH]3)[nH]c2c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one?
The InChIKey is KONOCJBYDRFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-8-2-3-9-10(6-8)16-11(7-12(9)17)13-14-4-5-15-13/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one?
2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one has a molecular weight of 241.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 70078077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).