6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline

C22H16BrNO — CID 633685

IUPAC6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H16BrNO/c1-25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14H,1H3
InChIKeyNMMBZKSNBPEJIC-UHFFFAOYSA-N
MW390.28 g/mol
LogP6.34
Rot. Bonds3

About 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline

6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline (PubChem CID 633685) has the molecular formula C22H16BrNO and a molecular weight of 390.28 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline
PubChem CID633685
Molecular FormulaC22H16BrNO
Molecular Weight390.28 g/mol
Exact Mass389.04
IUPAC Name6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H16BrNO/c1-25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14H,1H3
InChIKeyNMMBZKSNBPEJIC-UHFFFAOYSA-N
XLogP6.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline (CID 633685) is 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline is COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline?
The InChIKey is NMMBZKSNBPEJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO/c1-25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14H,1H3.
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline?
6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline has a molecular weight of 390.28 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline is sourced from PubChem (CID 633685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).