1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

C15H13BrN2O2 — CID 104798521

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c16-11-6-10(7-17-8-11)9-18-13-2-1-3-14(19)12(13)4-5-15(18)20/h4-8H,1-3,9H2
InChIKeyLMZDSEGBJBEMDV-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.57
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 104798521) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID104798521
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c16-11-6-10(7-17-8-11)9-18-13-2-1-3-14(19)12(13)4-5-15(18)20/h4-8H,1-3,9H2
InChIKeyLMZDSEGBJBEMDV-UHFFFAOYSA-N
XLogP2.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109153
1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one
CID 113454245
1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108824
1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 115982088
1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 103072812
1-(2-cyclopropylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108922
1-but-3-ynyl-7,8-dihydro-6H-quinoline-2,5-dione
CID 81107885
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109273
1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108927
2-[(5-bromo-3-pyridinyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 115617285

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 104798521) is 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2Cc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is LMZDSEGBJBEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-11-6-10(7-17-8-11)9-18-13-2-1-3-14(19)12(13)4-5-15(18)20/h4-8H,1-3,9H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 333.19 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 104798521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).