2-(3-bromophenyl)-6-methyl-4-phenylquinoline

C22H16BrN — CID 24813932

IUPAC2-(3-bromophenyl)-6-methyl-4-phenylquinoline
SMILESCc1ccc2nc(-c3cccc(Br)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C22H16BrN/c1-15-10-11-21-20(12-15)19(16-6-3-2-4-7-16)14-22(24-21)17-8-5-9-18(23)13-17/h2-14H,1H3
InChIKeyKYSPZSBIINNOEV-UHFFFAOYSA-N
MW374.28 g/mol
LogP6.64
Rot. Bonds2

About 2-(3-bromophenyl)-6-methyl-4-phenylquinoline

2-(3-bromophenyl)-6-methyl-4-phenylquinoline (PubChem CID 24813932) has the molecular formula C22H16BrN and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methyl-4-phenylquinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methyl-4-phenylquinoline
PubChem CID24813932
Molecular FormulaC22H16BrN
Molecular Weight374.28 g/mol
Exact Mass373.05
IUPAC Name2-(3-bromophenyl)-6-methyl-4-phenylquinoline
SMILESCc1ccc2nc(-c3cccc(Br)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C22H16BrN/c1-15-10-11-21-20(12-15)19(16-6-3-2-4-7-16)14-22(24-21)17-8-5-9-18(23)13-17/h2-14H,1H3
InChIKeyKYSPZSBIINNOEV-UHFFFAOYSA-N
XLogP6.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenz(a,j)acridine
CID 9177
2,6-Dimethylquinoline
CID 13414
Benz(a)acridine
CID 9180
9-Methylacridine
CID 11913
Benzenamine, N,N-dimethyl-4-[2-(2-quinolinyl)ethenyl]-
CID 5721990
7,9-Dimethylbenz(c)acridine
CID 13757
3-Methylbenzo(f)quinoline
CID 6797
Acridine, 9-amino-2-phenyl-
CID 22231
4-Methylacridine
CID 11886
Acridine, 9-(p-bromoanilino)-
CID 53345
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
9-Phenylacridine
CID 69041

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methyl-4-phenylquinoline?
The IUPAC name of 2-(3-bromophenyl)-6-methyl-4-phenylquinoline (CID 24813932) is 2-(3-bromophenyl)-6-methyl-4-phenylquinoline.
What is the SMILES notation for 2-(3-bromophenyl)-6-methyl-4-phenylquinoline?
The canonical SMILES for 2-(3-bromophenyl)-6-methyl-4-phenylquinoline is Cc1ccc2nc(-c3cccc(Br)c3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(3-bromophenyl)-6-methyl-4-phenylquinoline?
The InChIKey is KYSPZSBIINNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN/c1-15-10-11-21-20(12-15)19(16-6-3-2-4-7-16)14-22(24-21)17-8-5-9-18(23)13-17/h2-14H,1H3.
What are the key properties of 2-(3-bromophenyl)-6-methyl-4-phenylquinoline?
2-(3-bromophenyl)-6-methyl-4-phenylquinoline has a molecular weight of 374.28 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methyl-4-phenylquinoline is sourced from PubChem (CID 24813932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).