2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one

C23H16BrFN4O — CID 123877294

IUPAC2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccc(F)cc32)nn1CCc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C23H16BrFN4O/c24-18-12-17-11-15(1-4-20(17)26-14-18)7-10-29-23(30)6-5-22(27-29)28-9-8-16-2-3-19(25)13-21(16)28/h1-6,8-9,11-14H,7,10H2
InChIKeyAGAVQFBIPWBRHO-UHFFFAOYSA-N
MW463.31 g/mol
LogP4.88
Rot. Bonds4

About 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one

2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one (PubChem CID 123877294) has the molecular formula C23H16BrFN4O and a molecular weight of 463.31 g/mol. Its IUPAC name is 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one
PubChem CID123877294
Molecular FormulaC23H16BrFN4O
Molecular Weight463.31 g/mol
Exact Mass462.05
IUPAC Name2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccc(F)cc32)nn1CCc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C23H16BrFN4O/c24-18-12-17-11-15(1-4-20(17)26-14-18)7-10-29-23(30)6-5-22(27-29)28-9-8-16-2-3-19(25)13-21(16)28/h1-6,8-9,11-14H,7,10H2
InChIKeyAGAVQFBIPWBRHO-UHFFFAOYSA-N
XLogP4.88
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-fluoroindol-1-yl)-1H-pyridazin-6-one
CID 123550058
2-(3-bromoquinolin-6-yl)acetic acid
CID 59320341
6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 59843000
6-fluoro-1-(2-methylsulfanylpyrimidin-4-yl)indole
CID 69307163
2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 146661981
6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 73387530
7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
CID 67993011
7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
CID 118936660
2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)acetic acid
CID 70648615
1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole
CID 141330039
2-[2-[(2-chloro-4-pyridinyl)oxy]ethyl]-6-(6-fluoro-3-methylindol-1-yl)pyridazin-3-one
CID 144581255
1-[2-(3-bromophenyl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 84605285

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one (CID 123877294) is 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one is O=c1ccc(-n2ccc3ccc(F)cc32)nn1CCc1ccc2ncc(Br)cc2c1.
What is the InChIKey of 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one?
The InChIKey is AGAVQFBIPWBRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN4O/c24-18-12-17-11-15(1-4-20(17)26-14-18)7-10-29-23(30)6-5-22(27-29)28-9-8-16-2-3-19(25)13-21(16)28/h1-6,8-9,11-14H,7,10H2.
What are the key properties of 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one?
2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one has a molecular weight of 463.31 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromoquinolin-6-yl)ethyl]-6-(6-fluoroindol-1-yl)pyridazin-3-one is sourced from PubChem (CID 123877294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).