N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine

C18H12FN7 — CID 59587727

IUPACN-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESFc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3n3cccc23)c1
InChIInChI=1S/C18H12FN7/c19-12-3-1-4-13(10-12)20-18-16-5-2-8-26(16)15-7-6-11(9-14(15)21-18)17-22-24-25-23-17/h1-10H,(H,20,21)(H,22,23,24,25)
InChIKeyYORZOWQONOESHO-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.55
Rot. Bonds3

About N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine

N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 59587727) has the molecular formula C18H12FN7 and a molecular weight of 345.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID59587727
Molecular FormulaC18H12FN7
Molecular Weight345.34 g/mol
Exact Mass345.11
IUPAC NameN-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESFc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3n3cccc23)c1
InChIInChI=1S/C18H12FN7/c19-12-3-1-4-13(10-12)20-18-16-5-2-8-26(16)15-7-6-11(9-14(15)21-18)17-22-24-25-23-17/h1-10H,(H,20,21)(H,22,23,24,25)
InChIKeyYORZOWQONOESHO-UHFFFAOYSA-N
XLogP3.55
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (CID 59587727) is N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is Fc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3n3cccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is YORZOWQONOESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN7/c19-12-3-1-4-13(10-12)20-18-16-5-2-8-26(16)15-7-6-11(9-14(15)21-18)17-22-24-25-23-17/h1-10H,(H,20,21)(H,22,23,24,25).
What are the key properties of N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 345.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 59587727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).