1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one

C15H11BrN2O — CID 104809188

IUPAC1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
SMILESO=c1ccn(Cc2ccc(Br)cn2)c2ccccc12
InChIInChI=1S/C15H11BrN2O/c16-11-5-6-12(17-9-11)10-18-8-7-15(19)13-3-1-2-4-14(13)18/h1-9H,10H2
InChIKeyJFGMDUKBZKGKCZ-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.21
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one

1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one (PubChem CID 104809188) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
PubChem CID104809188
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
SMILESO=c1ccn(Cc2ccc(Br)cn2)c2ccccc12
InChIInChI=1S/C15H11BrN2O/c16-11-5-6-12(17-9-11)10-18-8-7-15(19)13-3-1-2-4-14(13)18/h1-9H,10H2
InChIKeyJFGMDUKBZKGKCZ-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
CID 116621225
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]quinolin-4-one
CID 71969968
3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583198
3-[(5-bromo-2-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104809320
5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414
3-[(5-bromo-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 113455683
1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
CID 62465636
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767
3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 104809272
1-[(5-bromo-2-pyridinyl)methyl]pyrrole-2-carbothioamide
CID 114653975

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one (CID 104809188) is 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one is O=c1ccn(Cc2ccc(Br)cn2)c2ccccc12.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one?
The InChIKey is JFGMDUKBZKGKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-5-6-12(17-9-11)10-18-8-7-15(19)13-3-1-2-4-14(13)18/h1-9H,10H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one?
1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one has a molecular weight of 315.17 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one is sourced from PubChem (CID 104809188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).