[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite

C22H14ClF2NO2S — CID 144758982

IUPAC[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite
SMILESCOc1cc(-c2cccc(F)c2)c(F)cc1-n1c(=O)ccc2cc(SCl)ccc21
InChIInChI=1S/C22H14ClF2NO2S/c1-28-21-11-17(13-3-2-4-15(24)9-13)18(25)12-20(21)26-19-7-6-16(29-23)10-14(19)5-8-22(26)27/h2-12H,1H3
InChIKeyDVILORIWSYIJMP-UHFFFAOYSA-N
MW429.88 g/mol
LogP6.19
Rot. Bonds4

About [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite

[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite (PubChem CID 144758982) has the molecular formula C22H14ClF2NO2S and a molecular weight of 429.88 g/mol. Its IUPAC name is [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite.

Molecular Properties

Compound Name[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite
PubChem CID144758982
Molecular FormulaC22H14ClF2NO2S
Molecular Weight429.88 g/mol
Exact Mass429.04
IUPAC Name[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite
SMILESCOc1cc(-c2cccc(F)c2)c(F)cc1-n1c(=O)ccc2cc(SCl)ccc21
InChIInChI=1S/C22H14ClF2NO2S/c1-28-21-11-17(13-3-2-4-15(24)9-13)18(25)12-20(21)26-19-7-6-16(29-23)10-14(19)5-8-22(26)27/h2-12H,1H3
InChIKeyDVILORIWSYIJMP-UHFFFAOYSA-N
XLogP6.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.88
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-ylquinoline-6-sulfinamide
CID 144758981
1-[4-(4-chlorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide
CID 144759172
N'-[1-[2-(cyanomethoxy)-5-fluoro-4-(3-fluorophenyl)phenyl]-2-oxoquinolin-6-yl]sulfonyl-3-oxopropanimidamide
CID 123931154
1-[5-fluoro-2-methoxy-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 118864931
CID 159606051
CID 159606051
1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 146232784
1-(4-bromo-5-fluoro-2-methoxyphenyl)-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;(5-chloro-3-pyridinyl)boronic acid;bis(1-[4-(5-chloro-3-pyridinyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide);phosphane
CID 159500030
1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 134262176
1-[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]-6-(1,2-oxazol-3-ylamino)sulfanylquinolin-2-one
CID 144759118
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 176902560
1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide
CID 144758919
1-(4-bromo-5-fluoro-2-methoxyphenyl)-N-(4,6-dimethyl-2-pyridinyl)-2-oxoquinoline-6-sulfonamide
CID 118864927

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite?
The IUPAC name of [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite (CID 144758982) is [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite.
What is the SMILES notation for [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite?
The canonical SMILES for [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite is COc1cc(-c2cccc(F)c2)c(F)cc1-n1c(=O)ccc2cc(SCl)ccc21.
What is the InChIKey of [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite?
The InChIKey is DVILORIWSYIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2NO2S/c1-28-21-11-17(13-3-2-4-15(24)9-13)18(25)12-20(21)26-19-7-6-16(29-23)10-14(19)5-8-22(26)27/h2-12H,1H3.
What are the key properties of [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite?
[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite has a molecular weight of 429.88 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite is sourced from PubChem (CID 144758982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).