7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one

C13H14N4O — CID 45271137

IUPAC7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESCN(C)Cc1ccc2c(c1)[nH]c(=O)c1nccn12
InChIInChI=1S/C13H14N4O/c1-16(2)8-9-3-4-11-10(7-9)15-13(18)12-14-5-6-17(11)12/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyMDSZPICVOVGTHX-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.24
Rot. Bonds2

About 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one

7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one (PubChem CID 45271137) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one
PubChem CID45271137
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESCN(C)Cc1ccc2c(c1)[nH]c(=O)c1nccn12
InChIInChI=1S/C13H14N4O/c1-16(2)8-9-3-4-11-10(7-9)15-13(18)12-14-5-6-17(11)12/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyMDSZPICVOVGTHX-UHFFFAOYSA-N
XLogP1.24
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one (CID 45271137) is 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one is CN(C)Cc1ccc2c(c1)[nH]c(=O)c1nccn12.
What is the InChIKey of 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one?
The InChIKey is MDSZPICVOVGTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16(2)8-9-3-4-11-10(7-9)15-13(18)12-14-5-6-17(11)12/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one?
7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one has a molecular weight of 242.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-5H-imidazo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 45271137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).