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

C13H11N3O2 — CID 23003010

IUPAC2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-n3ccnc3)[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-18-9-2-3-10-11(6-9)15-13(7-12(10)17)16-5-4-14-8-16/h2-8H,1H3,(H,15,17)
InChIKeyTXFNDVVGZNEIOL-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds2

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

2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one (PubChem CID 23003010) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one
PubChem CID23003010
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-n3ccnc3)[nH]c2c1
InChIInChI=1S/C13H11N3O2/c1-18-9-2-3-10-11(6-9)15-13(7-12(10)17)16-5-4-14-8-16/h2-8H,1H3,(H,15,17)
InChIKeyTXFNDVVGZNEIOL-UHFFFAOYSA-N
XLogP1.72
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one (CID 23003010) is 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one is COc1ccc2c(=O)cc(-n3ccnc3)[nH]c2c1.
What is the InChIKey of 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one?
The InChIKey is TXFNDVVGZNEIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-9-2-3-10-11(6-9)15-13(7-12(10)17)16-5-4-14-8-16/h2-8H,1H3,(H,15,17).
What are the key properties of 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one?
2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one has a molecular weight of 241.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 23003010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).