6-bromo-2-cyclohexyl-4-phenylquinoline

C21H20BrN — CID 134131031

IUPAC6-bromo-2-cyclohexyl-4-phenylquinoline
SMILESBrc1ccc2nc(C3CCCCC3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H20BrN/c22-17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(23-20)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2
InChIKeyIRLUCVNFRHXAEP-UHFFFAOYSA-N
MW366.30 g/mol
LogP6.71
Rot. Bonds2

About 6-bromo-2-cyclohexyl-4-phenylquinoline

6-bromo-2-cyclohexyl-4-phenylquinoline (PubChem CID 134131031) has the molecular formula C21H20BrN and a molecular weight of 366.30 g/mol. Its IUPAC name is 6-bromo-2-cyclohexyl-4-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-cyclohexyl-4-phenylquinoline
PubChem CID134131031
Molecular FormulaC21H20BrN
Molecular Weight366.30 g/mol
Exact Mass365.08
IUPAC Name6-bromo-2-cyclohexyl-4-phenylquinoline
SMILESBrc1ccc2nc(C3CCCCC3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H20BrN/c22-17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(23-20)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2
InChIKeyIRLUCVNFRHXAEP-UHFFFAOYSA-N
XLogP6.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclohexyl-4-phenylquinoline?
The IUPAC name of 6-bromo-2-cyclohexyl-4-phenylquinoline (CID 134131031) is 6-bromo-2-cyclohexyl-4-phenylquinoline.
What is the SMILES notation for 6-bromo-2-cyclohexyl-4-phenylquinoline?
The canonical SMILES for 6-bromo-2-cyclohexyl-4-phenylquinoline is Brc1ccc2nc(C3CCCCC3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-2-cyclohexyl-4-phenylquinoline?
The InChIKey is IRLUCVNFRHXAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN/c22-17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(23-20)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2.
What are the key properties of 6-bromo-2-cyclohexyl-4-phenylquinoline?
6-bromo-2-cyclohexyl-4-phenylquinoline has a molecular weight of 366.30 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclohexyl-4-phenylquinoline is sourced from PubChem (CID 134131031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).