2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline

C28H20BrNO — CID 139429569

IUPAC2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline
SMILESCOc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)ccc1-c1ccccc1Br
InChIInChI=1S/C28H20BrNO/c1-31-28-17-20(15-16-23(28)21-11-5-7-13-25(21)29)27-18-24(19-9-3-2-4-10-19)22-12-6-8-14-26(22)30-27/h2-18H,1H3
InChIKeyBNZBULBGKYQULC-UHFFFAOYSA-N
MW466.38 g/mol
LogP8.01
Rot. Bonds4

About 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline

2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline (PubChem CID 139429569) has the molecular formula C28H20BrNO and a molecular weight of 466.38 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline
PubChem CID139429569
Molecular FormulaC28H20BrNO
Molecular Weight466.38 g/mol
Exact Mass465.07
IUPAC Name2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline
SMILESCOc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)ccc1-c1ccccc1Br
InChIInChI=1S/C28H20BrNO/c1-31-28-17-20(15-16-23(28)21-11-5-7-13-25(21)29)27-18-24(19-9-3-2-4-10-19)22-12-6-8-14-26(22)30-27/h2-18H,1H3
InChIKeyBNZBULBGKYQULC-UHFFFAOYSA-N
XLogP8.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole
CID 146334012
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
CID 71229617
CID 71229617
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-(chloromethyl)-5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazole
CID 2113079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline?
The IUPAC name of 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline (CID 139429569) is 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline.
What is the SMILES notation for 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline?
The canonical SMILES for 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline is COc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)ccc1-c1ccccc1Br.
What is the InChIKey of 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline?
The InChIKey is BNZBULBGKYQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrNO/c1-31-28-17-20(15-16-23(28)21-11-5-7-13-25(21)29)27-18-24(19-9-3-2-4-10-19)22-12-6-8-14-26(22)30-27/h2-18H,1H3.
What are the key properties of 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline?
2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline has a molecular weight of 466.38 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline is sourced from PubChem (CID 139429569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).