8-(3-bromoprop-1-enyl)-1H-quinolin-4-one

C12H10BrNO — CID 169476193

IUPAC8-(3-bromoprop-1-enyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(C=CCBr)cccc12
InChIInChI=1S/C12H10BrNO/c13-7-2-4-9-3-1-5-10-11(15)6-8-14-12(9)10/h1-6,8H,7H2,(H,14,15)
InChIKeySAZJCYHGYCZILZ-UHFFFAOYSA-N
MW264.12 g/mol
LogP2.94
Rot. Bonds2

About 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one

8-(3-bromoprop-1-enyl)-1H-quinolin-4-one (PubChem CID 169476193) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-(3-bromoprop-1-enyl)-1H-quinolin-4-one
PubChem CID169476193
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name8-(3-bromoprop-1-enyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(C=CCBr)cccc12
InChIInChI=1S/C12H10BrNO/c13-7-2-4-9-3-1-5-10-11(15)6-8-14-12(9)10/h1-6,8H,7H2,(H,14,15)
InChIKeySAZJCYHGYCZILZ-UHFFFAOYSA-N
XLogP2.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 52.94
H-Bond Donors ≤ 51
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 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one?
The IUPAC name of 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one (CID 169476193) is 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one?
The canonical SMILES for 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one is O=c1cc[nH]c2c(C=CCBr)cccc12.
What is the InChIKey of 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one?
The InChIKey is SAZJCYHGYCZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-7-2-4-9-3-1-5-10-11(15)6-8-14-12(9)10/h1-6,8H,7H2,(H,14,15).
What are the key properties of 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one?
8-(3-bromoprop-1-enyl)-1H-quinolin-4-one has a molecular weight of 264.12 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromoprop-1-enyl)-1H-quinolin-4-one is sourced from PubChem (CID 169476193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).