8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid

C15H11N5O3 — CID 18928142

IUPAC8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2c(=O)[nH]c3ccc(-n4ccnc4)cc3n12
InChIInChI=1S/C15H11N5O3/c1-8-12(15(22)23)18-13-14(21)17-10-3-2-9(6-11(10)20(8)13)19-5-4-16-7-19/h2-7H,1H3,(H,17,21)(H,22,23)
InChIKeyCHCSSTRSQIEUBE-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.37
Rot. Bonds2

About 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid

8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (PubChem CID 18928142) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
PubChem CID18928142
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2c(=O)[nH]c3ccc(-n4ccnc4)cc3n12
InChIInChI=1S/C15H11N5O3/c1-8-12(15(22)23)18-13-14(21)17-10-3-2-9(6-11(10)20(8)13)19-5-4-16-7-19/h2-7H,1H3,(H,17,21)(H,22,23)
InChIKeyCHCSSTRSQIEUBE-UHFFFAOYSA-N
XLogP1.37
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (CID 18928142) is 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is Cc1c(C(=O)O)nc2c(=O)[nH]c3ccc(-n4ccnc4)cc3n12.
What is the InChIKey of 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The InChIKey is CHCSSTRSQIEUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c1-8-12(15(22)23)18-13-14(21)17-10-3-2-9(6-11(10)20(8)13)19-5-4-16-7-19/h2-7H,1H3,(H,17,21)(H,22,23).
What are the key properties of 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 18928142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).