4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid

C18H12ClN3O2 — CID 71741293

IUPAC4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1ccc2nc(Nc3cccc(Cl)c3)c3cccn3c2c1
InChIInChI=1S/C18H12ClN3O2/c19-12-3-1-4-13(10-12)20-17-15-5-2-8-22(15)16-9-11(18(23)24)6-7-14(16)21-17/h1-10H,(H,20,21)(H,23,24)
InChIKeyQPTWSOZJLDQIPY-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.58
Rot. Bonds3

About 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid

4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid (PubChem CID 71741293) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid
PubChem CID71741293
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1ccc2nc(Nc3cccc(Cl)c3)c3cccn3c2c1
InChIInChI=1S/C18H12ClN3O2/c19-12-3-1-4-13(10-12)20-17-15-5-2-8-22(15)16-9-11(18(23)24)6-7-14(16)21-17/h1-10H,(H,20,21)(H,23,24)
InChIKeyQPTWSOZJLDQIPY-UHFFFAOYSA-N
XLogP4.58
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 2l
CID 5330611
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
4-(quinoxalin-2-ylamino)benzoic Acid
CID 3547215
Methyl 4-(2-chloro-6-methylphenylamino)imidazo[1,5-a]quinoxaline-8-carboxylate
CID 44337272
4-(3-Chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 59587770
1-benzyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 29559943
1-Phenyl-1H-benzo[d]imidazole-6-carboxylic acid
CID 5328477
2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylic acid
CID 16195721
1-(5-Carboxy-1h-benzo[d]-imidazol-2-ylmethyl)pyridinium chloride
CID 50907898
4-(3-Ethynylanilino)-2-pyridin-3-ylpyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 71739433
4-(3-Chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid
CID 71741170
4-(3-Ethynylanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid
CID 71741171

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid?
The IUPAC name of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid (CID 71741293) is 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid.
What is the SMILES notation for 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid?
The canonical SMILES for 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid is O=C(O)c1ccc2nc(Nc3cccc(Cl)c3)c3cccn3c2c1.
What is the InChIKey of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid?
The InChIKey is QPTWSOZJLDQIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-12-3-1-4-13(10-12)20-17-15-5-2-8-22(15)16-9-11(18(23)24)6-7-14(16)21-17/h1-10H,(H,20,21)(H,23,24).
What are the key properties of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid?
4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid has a molecular weight of 337.77 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 71741293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).