2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide

C19H16BrN5O2 — CID 164575523

IUPAC2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc21
InChIInChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
InChIKeyKZBOZXNEKFYHQT-UHFFFAOYSA-N
MW426.27 g/mol
LogP3.34
Rot. Bonds2

About 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide

2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide (PubChem CID 164575523) has the molecular formula C19H16BrN5O2 and a molecular weight of 426.27 g/mol. Its IUPAC name is 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
PubChem CID164575523
Molecular FormulaC19H16BrN5O2
Molecular Weight426.27 g/mol
Exact Mass425.05
IUPAC Name2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc21
InChIInChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
InChIKeyKZBOZXNEKFYHQT-UHFFFAOYSA-N
XLogP3.34
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 91933866
(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 164575522
Myt1-IN-3
CID 156869367
2-Amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 118386917
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869445
6-Amino-2-(3,5-difluoro-2-pyridinyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869476
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869542
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-8-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168269060
2-Amino-5-(cyclopenten-1-yl)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 168272127

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide (CID 164575523) is 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc21.
What is the InChIKey of 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The InChIKey is KZBOZXNEKFYHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27).
What are the key properties of 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide?
2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide has a molecular weight of 426.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 164575523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).