2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol

C18H12ClF2N5O — CID 162732864

IUPAC2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1c(Cl)cc2c(ncc3nnn(C4CNC4)c32)c1F
InChIInChI=1S/C18H12ClF2N5O/c19-10-4-9-17(16(21)14(10)15-11(20)2-1-3-13(15)27)23-7-12-18(9)26(25-24-12)8-5-22-6-8/h1-4,7-8,22,27H,5-6H2
InChIKeyXUUOKVNGIFRFLQ-UHFFFAOYSA-N
MW387.78 g/mol
LogP3.43
Rot. Bonds2

About 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol

2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol (PubChem CID 162732864) has the molecular formula C18H12ClF2N5O and a molecular weight of 387.78 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol
PubChem CID162732864
Molecular FormulaC18H12ClF2N5O
Molecular Weight387.78 g/mol
Exact Mass387.07
IUPAC Name2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1c(Cl)cc2c(ncc3nnn(C4CNC4)c32)c1F
InChIInChI=1S/C18H12ClF2N5O/c19-10-4-9-17(16(21)14(10)15-11(20)2-1-3-13(15)27)23-7-12-18(9)26(25-24-12)8-5-22-6-8/h1-4,7-8,22,27H,5-6H2
InChIKeyXUUOKVNGIFRFLQ-UHFFFAOYSA-N
XLogP3.43
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.78
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol with MolForge

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Related Compounds

(7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 138678913
(7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-9-methyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 138678771
2-[(7R)-16-chloro-14-methyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-15-yl]-3-fluorophenol
CID 138678833
4-[1-(azetidin-3-yl)-8-chloro-6-fluoro-3-methylpyrazolo[4,5-c]quinolin-7-yl]-5-fluoro-1,3-benzothiazol-2-amine
CID 162732866
2-[6-chloro-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 157251670
2-[6-chloro-8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinazolin-7-yl]-3-fluorophenol
CID 137082267
2-[6-chloro-8-fluoro-4-(2-methylpiperazin-1-yl)-2-(2-pyrimidin-2-ylethoxy)quinazolin-7-yl]-3-fluorophenol
CID 145378206
1-[4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinolin-3-yl]but-3-en-2-one
CID 149070744
2-[6-chloro-8-fluoro-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]-4-piperazin-1-ylquinazolin-7-yl]-3-fluorophenol
CID 137252398
2-[6-chloro-8-fluoro-4-[(2S)-2-methylpiperazin-1-yl]-2-[2-(4-methylpyrimidin-2-yl)ethoxy]quinazolin-7-yl]-3-fluorophenol
CID 138607658
2-[4-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-6-chloro-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 137218457
1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane
CID 137247534

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol?
The IUPAC name of 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol (CID 162732864) is 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol.
What is the SMILES notation for 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol?
The canonical SMILES for 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol is Oc1cccc(F)c1-c1c(Cl)cc2c(ncc3nnn(C4CNC4)c32)c1F.
What is the InChIKey of 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol?
The InChIKey is XUUOKVNGIFRFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N5O/c19-10-4-9-17(16(21)14(10)15-11(20)2-1-3-13(15)27)23-7-12-18(9)26(25-24-12)8-5-22-6-8/h1-4,7-8,22,27H,5-6H2.
What are the key properties of 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol?
2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol has a molecular weight of 387.78 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)-8-chloro-6-fluorotriazolo[4,5-c]quinolin-7-yl]-3-fluorophenol is sourced from PubChem (CID 162732864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).