1-bromo-2-methoxy-9-phenylacridine

C20H14BrNO — CID 11439907

IUPAC1-bromo-2-methoxy-9-phenylacridine
SMILESCOc1ccc2nc3ccccc3c(-c3ccccc3)c2c1Br
InChIInChI=1S/C20H14BrNO/c1-23-17-12-11-16-19(20(17)21)18(13-7-3-2-4-8-13)14-9-5-6-10-15(14)22-16/h2-12H,1H3
InChIKeyPSQDYDYCJJUMND-UHFFFAOYSA-N
MW364.24 g/mol
LogP5.83
Rot. Bonds2

About 1-bromo-2-methoxy-9-phenylacridine

1-bromo-2-methoxy-9-phenylacridine (PubChem CID 11439907) has the molecular formula C20H14BrNO and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-bromo-2-methoxy-9-phenylacridine.

Molecular Properties

Compound Name1-bromo-2-methoxy-9-phenylacridine
PubChem CID11439907
Molecular FormulaC20H14BrNO
Molecular Weight364.24 g/mol
Exact Mass363.03
IUPAC Name1-bromo-2-methoxy-9-phenylacridine
SMILESCOc1ccc2nc3ccccc3c(-c3ccccc3)c2c1Br
InChIInChI=1S/C20H14BrNO/c1-23-17-12-11-16-19(20(17)21)18(13-7-3-2-4-8-13)14-9-5-6-10-15(14)22-16/h2-12H,1H3
InChIKeyPSQDYDYCJJUMND-UHFFFAOYSA-N
XLogP5.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.24
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1-iodo-2-methoxy-9-phenylacridine
CID 11408196
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
5-bromo-4-chloro-6-methoxy-2-methylquinoline
CID 82581093
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
2-acridin-9-yl-6-methoxyaniline
CID 150368327
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
3-bromo-4-methoxy-2-methylquinoline
CID 50915397
2-bromo-3-methoxy-6-phenylpyridine
CID 10869126
4-acridin-9-yl-3-methoxyaniline
CID 21106052
9-(4-ethoxyphenyl)acridine
CID 18966036

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-9-phenylacridine?
The IUPAC name of 1-bromo-2-methoxy-9-phenylacridine (CID 11439907) is 1-bromo-2-methoxy-9-phenylacridine.
What is the SMILES notation for 1-bromo-2-methoxy-9-phenylacridine?
The canonical SMILES for 1-bromo-2-methoxy-9-phenylacridine is COc1ccc2nc3ccccc3c(-c3ccccc3)c2c1Br.
What is the InChIKey of 1-bromo-2-methoxy-9-phenylacridine?
The InChIKey is PSQDYDYCJJUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO/c1-23-17-12-11-16-19(20(17)21)18(13-7-3-2-4-8-13)14-9-5-6-10-15(14)22-16/h2-12H,1H3.
What are the key properties of 1-bromo-2-methoxy-9-phenylacridine?
1-bromo-2-methoxy-9-phenylacridine has a molecular weight of 364.24 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-9-phenylacridine is sourced from PubChem (CID 11439907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).