1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one

C15H13BrN2O — CID 113454245

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(Cc2cncc(Br)c2)c2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-12-7-11(8-17-9-12)10-18-6-5-15(19)13-3-1-2-4-14(13)18/h1-4,7-9H,5-6,10H2
InChIKeyBSZCNTFACLOHMA-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.44
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one

1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one (PubChem CID 113454245) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one
PubChem CID113454245
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(Cc2cncc(Br)c2)c2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-12-7-11(8-17-9-12)10-18-6-5-15(19)13-3-1-2-4-14(13)18/h1-4,7-9H,5-6,10H2
InChIKeyBSZCNTFACLOHMA-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one
CID 105403514
7-amino-2-[(5-bromo-3-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104797226
1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one
CID 66155105
1-[(5-bromo-3-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 104798521
1-[(3,5-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 105403525
1-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylindol-2-one
CID 104809384
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 104810261
2-[(5-bromo-3-pyridinyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 115617285
4-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 104798338
1-(3-phenylprop-2-enyl)-2,3-dihydroquinolin-4-one
CID 77033480
1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one
CID 105371718

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one (CID 113454245) is 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one is O=C1CCN(Cc2cncc(Br)c2)c2ccccc21.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one?
The InChIKey is BSZCNTFACLOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-12-7-11(8-17-9-12)10-18-6-5-15(19)13-3-1-2-4-14(13)18/h1-4,7-9H,5-6,10H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one?
1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one has a molecular weight of 317.19 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 113454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).