2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide

C19H16N6O3 — CID 168731167

IUPAC2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide
SMILESCc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3cccc(C(N)=O)c3nc21
InChIInChI=1S/C19H16N6O3/c1-8-5-6-9(26)7-12(8)25-16(20)13(18(22)28)15-19(25)24-14-10(17(21)27)3-2-4-11(14)23-15/h2-7,26H,20H2,1H3,(H2,21,27)(H2,22,28)
InChIKeyDEWUMKMVOIFELE-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.37
Rot. Bonds3

About 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide

2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide (PubChem CID 168731167) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide.

Molecular Properties

Compound Name2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide
PubChem CID168731167
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide
SMILESCc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3cccc(C(N)=O)c3nc21
InChIInChI=1S/C19H16N6O3/c1-8-5-6-9(26)7-12(8)25-16(20)13(18(22)28)15-19(25)24-14-10(17(21)27)3-2-4-11(14)23-15/h2-7,26H,20H2,1H3,(H2,21,27)(H2,22,28)
InChIKeyDEWUMKMVOIFELE-UHFFFAOYSA-N
XLogP1.37
TPSA163.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide?
The IUPAC name of 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide (CID 168731167) is 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide.
What is the SMILES notation for 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide?
The canonical SMILES for 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide is Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3cccc(C(N)=O)c3nc21.
What is the InChIKey of 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide?
The InChIKey is DEWUMKMVOIFELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-8-5-6-9(26)7-12(8)25-16(20)13(18(22)28)15-19(25)24-14-10(17(21)27)3-2-4-11(14)23-15/h2-7,26H,20H2,1H3,(H2,21,27)(H2,22,28).
What are the key properties of 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide?
2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide has a molecular weight of 376.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3,8-dicarboxamide is sourced from PubChem (CID 168731167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).