2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide

C21H16N6O — CID 2322043

IUPAC2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide
SMILESNNC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12
InChIInChI=1S/C21H16N6O/c22-19-17(21(28)26-23)18-20(25-16-8-4-3-7-15(16)24-18)27(19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,22-23H2,(H,26,28)
InChIKeyIEULGWKQOPSWJG-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.91
Rot. Bonds2

About 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide

2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide (PubChem CID 2322043) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide
PubChem CID2322043
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide
SMILESNNC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12
InChIInChI=1S/C21H16N6O/c22-19-17(21(28)26-23)18-20(25-16-8-4-3-7-15(16)24-18)27(19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,22-23H2,(H,26,28)
InChIKeyIEULGWKQOPSWJG-UHFFFAOYSA-N
XLogP2.91
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40589200
2-amino-1-(3-chloro-4-methylphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2038481
2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3386844
2-amino-1-(3-chlorophenyl)-N-(6-methylheptan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3914627
2-amino-1-(4-butan-2-ylphenyl)-N-propylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 16957072
2-amino-1-(1,3-benzodioxol-5-yl)-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2002761
2-amino-1-(3-chloro-4-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40838288
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794
2-amino-1-(3-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2011188
2-amino-1-(4-bromophenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2022990
ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide?
The IUPAC name of 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide (CID 2322043) is 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide.
What is the SMILES notation for 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide?
The canonical SMILES for 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide is NNC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide?
The InChIKey is IEULGWKQOPSWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c22-19-17(21(28)26-23)18-20(25-16-8-4-3-7-15(16)24-18)27(19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,22-23H2,(H,26,28).
What are the key properties of 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide?
2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide has a molecular weight of 368.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide is sourced from PubChem (CID 2322043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).