N-(3-bromophenyl)benzo[g]quinazolin-4-amine

C18H12BrN3 — CID 5328245

IUPACN-(3-bromophenyl)benzo[g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4ccccc4cc23)c1
InChIInChI=1S/C18H12BrN3/c19-14-6-3-7-15(10-14)22-18-16-8-12-4-1-2-5-13(12)9-17(16)20-11-21-18/h1-11H,(H,20,21,22)
InChIKeyBUVKJPOCMOXSSQ-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.29
Rot. Bonds2

About N-(3-bromophenyl)benzo[g]quinazolin-4-amine

N-(3-bromophenyl)benzo[g]quinazolin-4-amine (PubChem CID 5328245) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(3-bromophenyl)benzo[g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)benzo[g]quinazolin-4-amine
PubChem CID5328245
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC NameN-(3-bromophenyl)benzo[g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4ccccc4cc23)c1
InChIInChI=1S/C18H12BrN3/c19-14-6-3-7-15(10-14)22-18-16-8-12-4-1-2-5-13(12)9-17(16)20-11-21-18/h1-11H,(H,20,21,22)
InChIKeyBUVKJPOCMOXSSQ-UHFFFAOYSA-N
XLogP5.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)benzo[g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)benzo[g]quinazolin-4-amine (CID 5328245) is N-(3-bromophenyl)benzo[g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)benzo[g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)benzo[g]quinazolin-4-amine is Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)benzo[g]quinazolin-4-amine?
The InChIKey is BUVKJPOCMOXSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-14-6-3-7-15(10-14)22-18-16-8-12-4-1-2-5-13(12)9-17(16)20-11-21-18/h1-11H,(H,20,21,22).
What are the key properties of N-(3-bromophenyl)benzo[g]quinazolin-4-amine?
N-(3-bromophenyl)benzo[g]quinazolin-4-amine has a molecular weight of 350.22 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)benzo[g]quinazolin-4-amine is sourced from PubChem (CID 5328245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).