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

C19H17N5O2 — CID 168731087

IUPAC2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3cccc(C)c3nc21
InChIInChI=1S/C19H17N5O2/c1-9-6-7-11(25)8-13(9)24-17(20)14(18(21)26)16-19(24)23-15-10(2)4-3-5-12(15)22-16/h3-8,25H,20H2,1-2H3,(H2,21,26)
InChIKeySLBRNQXMXBCICM-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.58
Rot. Bonds2

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

2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 168731087) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID168731087
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3cccc(C)c3nc21
InChIInChI=1S/C19H17N5O2/c1-9-6-7-11(25)8-13(9)24-17(20)14(18(21)26)16-19(24)23-15-10(2)4-3-5-12(15)22-16/h3-8,25H,20H2,1-2H3,(H2,21,26)
InChIKeySLBRNQXMXBCICM-UHFFFAOYSA-N
XLogP2.58
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 168731087) is 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide is Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3cccc(C)c3nc21.
What is the InChIKey of 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is SLBRNQXMXBCICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-9-6-7-11(25)8-13(9)24-17(20)14(18(21)26)16-19(24)23-15-10(2)4-3-5-12(15)22-16/h3-8,25H,20H2,1-2H3,(H2,21,26).
What are the key properties of 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-hydroxy-2-methylphenyl)-8-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 168731087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).