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

C22H16BrN — CID 633013

IUPAC2-(4-bromophenyl)-6-methyl-4-phenylquinoline
SMILESCc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C22H16BrN/c1-15-7-12-21-20(13-15)19(16-5-3-2-4-6-16)14-22(24-21)17-8-10-18(23)11-9-17/h2-14H,1H3
InChIKeyYOTRWILQTVHJNU-UHFFFAOYSA-N
MW374.28 g/mol
LogP6.64
Rot. Bonds2

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

2-(4-bromophenyl)-6-methyl-4-phenylquinoline (PubChem CID 633013) has the molecular formula C22H16BrN and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-4-phenylquinoline
PubChem CID633013
Molecular FormulaC22H16BrN
Molecular Weight374.28 g/mol
Exact Mass373.05
IUPAC Name2-(4-bromophenyl)-6-methyl-4-phenylquinoline
SMILESCc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C22H16BrN/c1-15-7-12-21-20(13-15)19(16-5-3-2-4-6-16)14-22(24-21)17-8-10-18(23)11-9-17/h2-14H,1H3
InChIKeyYOTRWILQTVHJNU-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-4-phenylquinoline?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-4-phenylquinoline (CID 633013) is 2-(4-bromophenyl)-6-methyl-4-phenylquinoline.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-4-phenylquinoline?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-4-phenylquinoline is Cc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-4-phenylquinoline?
The InChIKey is YOTRWILQTVHJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN/c1-15-7-12-21-20(13-15)19(16-5-3-2-4-6-16)14-22(24-21)17-8-10-18(23)11-9-17/h2-14H,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methyl-4-phenylquinoline?
2-(4-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-(4-bromophenyl)-6-methyl-4-phenylquinoline is sourced from PubChem (CID 633013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).