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

C14H13N3O2 — CID 23003017

IUPAC7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-n3cnc(C)c3)[nH]c2c1
InChIInChI=1S/C14H13N3O2/c1-9-7-17(8-15-9)14-6-13(18)11-4-3-10(19-2)5-12(11)16-14/h3-8H,1-2H3,(H,16,18)
InChIKeyJWMLCJUUSVQOFS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.03
Rot. Bonds2

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

7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one (PubChem CID 23003017) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one
PubChem CID23003017
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-n3cnc(C)c3)[nH]c2c1
InChIInChI=1S/C14H13N3O2/c1-9-7-17(8-15-9)14-6-13(18)11-4-3-10(19-2)5-12(11)16-14/h3-8H,1-2H3,(H,16,18)
InChIKeyJWMLCJUUSVQOFS-UHFFFAOYSA-N
XLogP2.03
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one (CID 23003017) is 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one is COc1ccc2c(=O)cc(-n3cnc(C)c3)[nH]c2c1.
What is the InChIKey of 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one?
The InChIKey is JWMLCJUUSVQOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-7-17(8-15-9)14-6-13(18)11-4-3-10(19-2)5-12(11)16-14/h3-8H,1-2H3,(H,16,18).
What are the key properties of 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one?
7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one has a molecular weight of 255.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methylimidazol-1-yl)-1H-quinolin-4-one is sourced from PubChem (CID 23003017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).