4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid

C18H12ClN3O2 — CID 59587770

IUPAC4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cccn12
InChIInChI=1S/C18H12ClN3O2/c19-12-3-1-4-13(10-12)20-17-16-5-2-8-22(16)15-7-6-11(18(23)24)9-14(15)21-17/h1-10H,(H,20,21)(H,23,24)
InChIKeySSZSGGHRHQXWNB-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.58
Rot. Bonds3

About 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid

4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid (PubChem CID 59587770) 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-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
PubChem CID59587770
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cccn12
InChIInChI=1S/C18H12ClN3O2/c19-12-3-1-4-13(10-12)20-17-16-5-2-8-22(16)15-7-6-11(18(23)24)9-14(15)21-17/h1-10H,(H,20,21)(H,23,24)
InChIKeySSZSGGHRHQXWNB-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
The IUPAC name of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid (CID 59587770) is 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid.
What is the SMILES notation for 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
The canonical SMILES for 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cccn12.
What is the InChIKey of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
The InChIKey is SSZSGGHRHQXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-12-3-1-4-13(10-12)20-17-16-5-2-8-22(16)15-7-6-11(18(23)24)9-14(15)21-17/h1-10H,(H,20,21)(H,23,24).
What are the key properties of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid?
4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-7-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-7-carboxylic acid is sourced from PubChem (CID 59587770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).