N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine

C16H10BrN5 — CID 5328246

IUPACN-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4nccnc4cc23)c1
InChIInChI=1S/C16H10BrN5/c17-10-2-1-3-11(6-10)22-16-12-7-14-15(19-5-4-18-14)8-13(12)20-9-21-16/h1-9H,(H,20,21,22)
InChIKeyZZAZKOOJVIBTOP-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.08
Rot. Bonds2

About N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine

N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine (PubChem CID 5328246) has the molecular formula C16H10BrN5 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine
PubChem CID5328246
Molecular FormulaC16H10BrN5
Molecular Weight352.20 g/mol
Exact Mass351.01
IUPAC NameN-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4nccnc4cc23)c1
InChIInChI=1S/C16H10BrN5/c17-10-2-1-3-11(6-10)22-16-12-7-14-15(19-5-4-18-14)8-13(12)20-9-21-16/h1-9H,(H,20,21,22)
InChIKeyZZAZKOOJVIBTOP-UHFFFAOYSA-N
XLogP4.08
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine (CID 5328246) is N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine is Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine?
The InChIKey is ZZAZKOOJVIBTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5/c17-10-2-1-3-11(6-10)22-16-12-7-14-15(19-5-4-18-14)8-13(12)20-9-21-16/h1-9H,(H,20,21,22).
What are the key properties of N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine?
N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine has a molecular weight of 352.20 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine is sourced from PubChem (CID 5328246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).