N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine

C18H13N7 — CID 59587767

IUPACN-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESc1ccc(Nc2nc3cc(-c4nn[nH]n4)ccc3n3cccc23)cc1
InChIInChI=1S/C18H13N7/c1-2-5-13(6-3-1)19-18-16-7-4-10-25(16)15-9-8-12(11-14(15)20-18)17-21-23-24-22-17/h1-11H,(H,19,20)(H,21,22,23,24)
InChIKeyRMXDDCXHBXTQRN-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.41
Rot. Bonds3

About N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine

N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 59587767) has the molecular formula C18H13N7 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID59587767
Molecular FormulaC18H13N7
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC NameN-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESc1ccc(Nc2nc3cc(-c4nn[nH]n4)ccc3n3cccc23)cc1
InChIInChI=1S/C18H13N7/c1-2-5-13(6-3-1)19-18-16-7-4-10-25(16)15-9-8-12(11-14(15)20-18)17-21-23-24-22-17/h1-11H,(H,19,20)(H,21,22,23,24)
InChIKeyRMXDDCXHBXTQRN-UHFFFAOYSA-N
XLogP3.41
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (CID 59587767) is N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is c1ccc(Nc2nc3cc(-c4nn[nH]n4)ccc3n3cccc23)cc1.
What is the InChIKey of N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is RMXDDCXHBXTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7/c1-2-5-13(6-3-1)19-18-16-7-4-10-25(16)15-9-8-12(11-14(15)20-18)17-21-23-24-22-17/h1-11H,(H,19,20)(H,21,22,23,24).
What are the key properties of N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 327.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 59587767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).