4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one

C21H16FN5O3 — CID 130243317

IUPAC4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-n2cc(-c3cc4ccccc4[nH]c3=O)nn2)cc1F
InChIInChI=1S/C21H16FN5O3/c22-16-10-14(5-6-19(16)26-7-8-30-12-20(26)28)27-11-18(24-25-27)15-9-13-3-1-2-4-17(13)23-21(15)29/h1-6,9-11H,7-8,12H2,(H,23,29)
InChIKeyWOAVEBJCGSSHDJ-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.28
Rot. Bonds3

About 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one

4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one (PubChem CID 130243317) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one
PubChem CID130243317
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-n2cc(-c3cc4ccccc4[nH]c3=O)nn2)cc1F
InChIInChI=1S/C21H16FN5O3/c22-16-10-14(5-6-19(16)26-7-8-30-12-20(26)28)27-11-18(24-25-27)15-9-13-3-1-2-4-17(13)23-21(15)29/h1-6,9-11H,7-8,12H2,(H,23,29)
InChIKeyWOAVEBJCGSSHDJ-UHFFFAOYSA-N
XLogP2.28
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one with MolForge

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Related Compounds

3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228284
3-[1-[4-(2-methylsulfonylpropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228232
7-bromo-3-[1-[4-(morpholine-4-carbonyl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228324
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
6-fluoro-3-[1-[4-(pyrrolidine-1-carbonyl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228268
2-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 59410776
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
CID 118177592
6-fluoro-3-[1-[4-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228226
8-fluoro-3-[1-[4-(piperazine-1-carbonyl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228209
6-chloro-3-[1-[4-(pyrrolidine-1-carbonyl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130244576
6-fluoro-3-[1-[4-(2-oxa-8-azaspiro[3.5]nonane-8-carbonyl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228354
[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium
CID 137439146

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one (CID 130243317) is 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(-n2cc(-c3cc4ccccc4[nH]c3=O)nn2)cc1F.
What is the InChIKey of 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one?
The InChIKey is WOAVEBJCGSSHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c22-16-10-14(5-6-19(16)26-7-8-30-12-20(26)28)27-11-18(24-25-27)15-9-13-3-1-2-4-17(13)23-21(15)29/h1-6,9-11H,7-8,12H2,(H,23,29).
What are the key properties of 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one?
4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one has a molecular weight of 405.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[4-(2-oxo-1H-quinolin-3-yl)triazol-1-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 130243317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).