2,3-dibromo-4-(2-phenylethenyl)quinoline

C17H11Br2N — CID 154342349

IUPAC2,3-dibromo-4-(2-phenylethenyl)quinoline
SMILESBrc1nc2ccccc2c(C=Cc2ccccc2)c1Br
InChIInChI=1S/C17H11Br2N/c18-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)20-17(16)19/h1-11H
InChIKeyXZYNNAGYLMYWPH-UHFFFAOYSA-N
MW389.09 g/mol
LogP5.93
Rot. Bonds2

About 2,3-dibromo-4-(2-phenylethenyl)quinoline

2,3-dibromo-4-(2-phenylethenyl)quinoline (PubChem CID 154342349) has the molecular formula C17H11Br2N and a molecular weight of 389.09 g/mol. Its IUPAC name is 2,3-dibromo-4-(2-phenylethenyl)quinoline.

Molecular Properties

Compound Name2,3-dibromo-4-(2-phenylethenyl)quinoline
PubChem CID154342349
Molecular FormulaC17H11Br2N
Molecular Weight389.09 g/mol
Exact Mass386.93
IUPAC Name2,3-dibromo-4-(2-phenylethenyl)quinoline
SMILESBrc1nc2ccccc2c(C=Cc2ccccc2)c1Br
InChIInChI=1S/C17H11Br2N/c18-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)20-17(16)19/h1-11H
InChIKeyXZYNNAGYLMYWPH-UHFFFAOYSA-N
XLogP5.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.09
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-bromo-10-[(E)-2-phenylethenyl]anthracene
CID 102276385
CID 67900431
CID 67900431
2-phenyl-4-(2-phenylethenyl)quinazoline
CID 54158747
4-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 18432979
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-(2-acridin-9-ylethenyl)-4-bromophenol
CID 3103972
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486
2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine
CID 1402131
3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
CID 84819262
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-(2-phenylethenyl)quinoline?
The IUPAC name of 2,3-dibromo-4-(2-phenylethenyl)quinoline (CID 154342349) is 2,3-dibromo-4-(2-phenylethenyl)quinoline.
What is the SMILES notation for 2,3-dibromo-4-(2-phenylethenyl)quinoline?
The canonical SMILES for 2,3-dibromo-4-(2-phenylethenyl)quinoline is Brc1nc2ccccc2c(C=Cc2ccccc2)c1Br.
What is the InChIKey of 2,3-dibromo-4-(2-phenylethenyl)quinoline?
The InChIKey is XZYNNAGYLMYWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2N/c18-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)20-17(16)19/h1-11H.
What are the key properties of 2,3-dibromo-4-(2-phenylethenyl)quinoline?
2,3-dibromo-4-(2-phenylethenyl)quinoline has a molecular weight of 389.09 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-(2-phenylethenyl)quinoline is sourced from PubChem (CID 154342349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).