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

C18H12ClN3O2 — CID 71741170

IUPAC4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid
SMILESO=C(O)c1ccn2c1c(Nc1cccc(Cl)c1)nc1ccccc12
InChIInChI=1S/C18H12ClN3O2/c19-11-4-3-5-12(10-11)20-17-16-13(18(23)24)8-9-22(16)15-7-2-1-6-14(15)21-17/h1-10H,(H,20,21)(H,23,24)
InChIKeyKBENSPSVEKVINH-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.58
Rot. Bonds3

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

4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid (PubChem CID 71741170) 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-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid
PubChem CID71741170
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid
SMILESO=C(O)c1ccn2c1c(Nc1cccc(Cl)c1)nc1ccccc12
InChIInChI=1S/C18H12ClN3O2/c19-11-4-3-5-12(10-11)20-17-16-13(18(23)24)8-9-22(16)15-7-2-1-6-14(15)21-17/h1-10H,(H,20,21)(H,23,24)
InChIKeyKBENSPSVEKVINH-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

4-(3-Chloroanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 59587770
4-(3-Ethynylanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid
CID 71741171
4-(3-Chloroanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid
CID 71741293
4-(3-Chloroanilino)-2-pyridin-3-ylpyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 71739432
4-(3-Chloroanilino)pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
CID 71741168
4-(3-Ethynylanilino)pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
CID 71741169
5-(3-Chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967592
5-(3-Chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967602
5-(3-Chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967607
5-(3-Chloroanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967677
5-(3-Chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967679
5-(3-Chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967719

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid?
The IUPAC name of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid (CID 71741170) is 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid.
What is the SMILES notation for 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid?
The canonical SMILES for 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid is O=C(O)c1ccn2c1c(Nc1cccc(Cl)c1)nc1ccccc12.
What is the InChIKey of 4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-carboxylic acid?
The InChIKey is KBENSPSVEKVINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-11-4-3-5-12(10-11)20-17-16-13(18(23)24)8-9-22(16)15-7-2-1-6-14(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-3-carboxylic acid?
4-(3-chloroanilino)pyrrolo[1,2-a]quinoxaline-3-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-3-carboxylic acid is sourced from PubChem (CID 71741170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).