1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione

C12H14BrNO2 — CID 81108600

IUPAC1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCBr
InChIInChI=1S/C12H14BrNO2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8H2
InChIKeyKDOAOHBVCVDWNZ-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.15
Rot. Bonds3

About 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81108600) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81108600
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCBr
InChIInChI=1S/C12H14BrNO2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8H2
InChIKeyKDOAOHBVCVDWNZ-UHFFFAOYSA-N
XLogP2.15
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81108600) is 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCCBr.
What is the InChIKey of 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is KDOAOHBVCVDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8H2.
What are the key properties of 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 284.15 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81108600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).