N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide

C19H17N7 — CID 136661004

IUPACN'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(c1)nc(N(C)c1ccccc1)c1cccn12
InChIInChI=1S/C19H17N7/c1-25(14-6-3-2-4-7-14)19-17-8-5-11-26(17)16-10-9-13(12-15(16)22-19)18(20)23-24-21/h2-12H,1H3,(H3,20,21,23)
InChIKeyBQKYRDUJMSFDLM-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.91
Rot. Bonds4

About N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide

N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide (PubChem CID 136661004) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide
PubChem CID136661004
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC NameN'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(c1)nc(N(C)c1ccccc1)c1cccn12
InChIInChI=1S/C19H17N7/c1-25(14-6-3-2-4-7-14)19-17-8-5-11-26(17)16-10-9-13(12-15(16)22-19)18(20)23-24-21/h2-12H,1H3,(H3,20,21,23)
InChIKeyBQKYRDUJMSFDLM-UHFFFAOYSA-N
XLogP3.91
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide?
The IUPAC name of N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide (CID 136661004) is N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide.
What is the SMILES notation for N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide?
The canonical SMILES for N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide is [H]/N=N/N=C(N)c1ccc2c(c1)nc(N(C)c1ccccc1)c1cccn12.
What is the InChIKey of N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide?
The InChIKey is BQKYRDUJMSFDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-25(14-6-3-2-4-7-14)19-17-8-5-11-26(17)16-10-9-13(12-15(16)22-19)18(20)23-24-21/h2-12H,1H3,(H3,20,21,23).
What are the key properties of N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide?
N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide has a molecular weight of 343.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-4-(N-methylanilino)pyrrolo[1,2-a]quinoxaline-7-carboximidamide is sourced from PubChem (CID 136661004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).