9-[(4-bromophenyl)methyl]acridine;hydrochloride

C20H15BrClN — CID 90679771

IUPAC9-[(4-bromophenyl)methyl]acridine;hydrochloride
SMILESBrc1ccc(Cc2c3ccccc3nc3ccccc23)cc1.Cl
InChIInChI=1S/C20H14BrN.ClH/c21-15-11-9-14(10-12-15)13-18-16-5-1-3-7-19(16)22-20-8-4-2-6-17(18)20;/h1-12H,13H2;1H
InChIKeyQABCZSOOPDHPIC-UHFFFAOYSA-N
MW384.70 g/mol
LogP6.16
Rot. Bonds2

About 9-[(4-bromophenyl)methyl]acridine;hydrochloride

9-[(4-bromophenyl)methyl]acridine;hydrochloride (PubChem CID 90679771) has the molecular formula C20H15BrClN and a molecular weight of 384.70 g/mol. Its IUPAC name is 9-[(4-bromophenyl)methyl]acridine;hydrochloride.

Molecular Properties

Compound Name9-[(4-bromophenyl)methyl]acridine;hydrochloride
PubChem CID90679771
Molecular FormulaC20H15BrClN
Molecular Weight384.70 g/mol
Exact Mass383.01
IUPAC Name9-[(4-bromophenyl)methyl]acridine;hydrochloride
SMILESBrc1ccc(Cc2c3ccccc3nc3ccccc23)cc1.Cl
InChIInChI=1S/C20H14BrN.ClH/c21-15-11-9-14(10-12-15)13-18-16-5-1-3-7-19(16)22-20-8-4-2-6-17(18)20;/h1-12H,13H2;1H
InChIKeyQABCZSOOPDHPIC-UHFFFAOYSA-N
XLogP6.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.70
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-[(4-bromophenyl)methyl]acridine;hydrochloride?
The IUPAC name of 9-[(4-bromophenyl)methyl]acridine;hydrochloride (CID 90679771) is 9-[(4-bromophenyl)methyl]acridine;hydrochloride.
What is the SMILES notation for 9-[(4-bromophenyl)methyl]acridine;hydrochloride?
The canonical SMILES for 9-[(4-bromophenyl)methyl]acridine;hydrochloride is Brc1ccc(Cc2c3ccccc3nc3ccccc23)cc1.Cl.
What is the InChIKey of 9-[(4-bromophenyl)methyl]acridine;hydrochloride?
The InChIKey is QABCZSOOPDHPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN.ClH/c21-15-11-9-14(10-12-15)13-18-16-5-1-3-7-19(16)22-20-8-4-2-6-17(18)20;/h1-12H,13H2;1H.
What are the key properties of 9-[(4-bromophenyl)methyl]acridine;hydrochloride?
9-[(4-bromophenyl)methyl]acridine;hydrochloride has a molecular weight of 384.70 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromophenyl)methyl]acridine;hydrochloride is sourced from PubChem (CID 90679771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).