7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide

C17H16N4O2 — CID 171645308

IUPAC7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)cc2nccnc12
InChIInChI=1S/C17H16N4O2/c1-8-3-4-12(22)9(2)13(8)14-15(18)10(17(19)23)7-11-16(14)21-6-5-20-11/h3-7,22H,18H2,1-2H3,(H2,19,23)
InChIKeyRARXBLCJKXPTCO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.30
Rot. Bonds2

About 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide

7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide (PubChem CID 171645308) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide
PubChem CID171645308
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)cc2nccnc12
InChIInChI=1S/C17H16N4O2/c1-8-3-4-12(22)9(2)13(8)14-15(18)10(17(19)23)7-11-16(14)21-6-5-20-11/h3-7,22H,18H2,1-2H3,(H2,19,23)
InChIKeyRARXBLCJKXPTCO-UHFFFAOYSA-N
XLogP2.30
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide (CID 171645308) is 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide is Cc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)cc2nccnc12.
What is the InChIKey of 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide?
The InChIKey is RARXBLCJKXPTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-8-3-4-12(22)9(2)13(8)14-15(18)10(17(19)23)7-11-16(14)21-6-5-20-11/h3-7,22H,18H2,1-2H3,(H2,19,23).
What are the key properties of 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide?
7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-(3-hydroxy-2,6-dimethylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 171645308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).