7-bromo-8-(bromomethyl)-4-phenylquinoline

C16H11Br2N — CID 164761400

IUPAC7-bromo-8-(bromomethyl)-4-phenylquinoline
SMILESBrCc1c(Br)ccc2c(-c3ccccc3)ccnc12
InChIInChI=1S/C16H11Br2N/c17-10-14-15(18)7-6-13-12(8-9-19-16(13)14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyHGKASXDIRLRUQV-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.56
Rot. Bonds2

About 7-bromo-8-(bromomethyl)-4-phenylquinoline

7-bromo-8-(bromomethyl)-4-phenylquinoline (PubChem CID 164761400) has the molecular formula C16H11Br2N and a molecular weight of 377.08 g/mol. Its IUPAC name is 7-bromo-8-(bromomethyl)-4-phenylquinoline.

Molecular Properties

Compound Name7-bromo-8-(bromomethyl)-4-phenylquinoline
PubChem CID164761400
Molecular FormulaC16H11Br2N
Molecular Weight377.08 g/mol
Exact Mass374.93
IUPAC Name7-bromo-8-(bromomethyl)-4-phenylquinoline
SMILESBrCc1c(Br)ccc2c(-c3ccccc3)ccnc12
InChIInChI=1S/C16H11Br2N/c17-10-14-15(18)7-6-13-12(8-9-19-16(13)14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyHGKASXDIRLRUQV-UHFFFAOYSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-(bromomethyl)-4-phenylquinoline?
The IUPAC name of 7-bromo-8-(bromomethyl)-4-phenylquinoline (CID 164761400) is 7-bromo-8-(bromomethyl)-4-phenylquinoline.
What is the SMILES notation for 7-bromo-8-(bromomethyl)-4-phenylquinoline?
The canonical SMILES for 7-bromo-8-(bromomethyl)-4-phenylquinoline is BrCc1c(Br)ccc2c(-c3ccccc3)ccnc12.
What is the InChIKey of 7-bromo-8-(bromomethyl)-4-phenylquinoline?
The InChIKey is HGKASXDIRLRUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N/c17-10-14-15(18)7-6-13-12(8-9-19-16(13)14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 7-bromo-8-(bromomethyl)-4-phenylquinoline?
7-bromo-8-(bromomethyl)-4-phenylquinoline has a molecular weight of 377.08 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-(bromomethyl)-4-phenylquinoline is sourced from PubChem (CID 164761400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).