(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride

C11H10ClN3O — CID 110187058

IUPAC(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride
SMILES[Cl-].[NH3+]c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C11H9N3O.ClH/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10;/h1-6H,12H2,(H,13,15);1H
InChIKeyQLKAWSGOOOENMU-UHFFFAOYSA-N
MW235.67 g/mol
LogP-2.34
Rot. Bonds

About (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride

(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride (PubChem CID 110187058) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride.

Molecular Properties

Compound Name(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride
PubChem CID110187058
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride
SMILES[Cl-].[NH3+]c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C11H9N3O.ClH/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10;/h1-6H,12H2,(H,13,15);1H
InChIKeyQLKAWSGOOOENMU-UHFFFAOYSA-N
XLogP-2.34
TPSA64.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 59587752
7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 59587728
4-oxo-N-(1,3-thiazol-2-yl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 87477582
8-methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 24970539
7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 68501437
4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 68502159
8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 25156283
3-methyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 175861879
4-bromo-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 176909969
cyclohexa-2,5-diene-1,4-dione;4H-pyrrolo[1,2-a]benzimidazole
CID 22245976
4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
CID 82618520
N-(2-morpholin-4-ylethyl)-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-8-carboxamide
CID 24831358

Frequently Asked Questions

What is the IUPAC name of (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride?
The IUPAC name of (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride (CID 110187058) is (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride.
What is the SMILES notation for (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride?
The canonical SMILES for (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride is [Cl-].[NH3+]c1ccc2c(c1)[nH]c(=O)c1cccn12.
What is the InChIKey of (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride?
The InChIKey is QLKAWSGOOOENMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.ClH/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10;/h1-6H,12H2,(H,13,15);1H.
What are the key properties of (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride?
(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride has a molecular weight of 235.67 g/mol, XLogP of -2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride is sourced from PubChem (CID 110187058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).