[8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate

C19H14FN3O6S — CID 68567509

IUPAC[8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(OC(=O)O)c3c2c1
InChIInChI=1S/C19H14FN3O6S/c1-23(11-4-2-10(20)3-5-11)30(27,28)12-6-7-14-13(8-12)16-15(29-19(25)26)9-21-17(16)18(24)22-14/h2-9,21H,1H3,(H,22,24)(H,25,26)
InChIKeyWNMFIZYRSZSKBC-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.03
Rot. Bonds4

About [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate

[8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate (PubChem CID 68567509) has the molecular formula C19H14FN3O6S and a molecular weight of 431.40 g/mol. Its IUPAC name is [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate.

Molecular Properties

Compound Name[8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate
PubChem CID68567509
Molecular FormulaC19H14FN3O6S
Molecular Weight431.40 g/mol
Exact Mass431.06
IUPAC Name[8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(OC(=O)O)c3c2c1
InChIInChI=1S/C19H14FN3O6S/c1-23(11-4-2-10(20)3-5-11)30(27,28)12-6-7-14-13(8-12)16-15(29-19(25)26)9-21-17(16)18(24)22-14/h2-9,21H,1H3,(H,22,24)(H,25,26)
InChIKeyWNMFIZYRSZSKBC-UHFFFAOYSA-N
XLogP3.03
TPSA132.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate?
The IUPAC name of [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate (CID 68567509) is [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate.
What is the SMILES notation for [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate?
The canonical SMILES for [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(OC(=O)O)c3c2c1.
What is the InChIKey of [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate?
The InChIKey is WNMFIZYRSZSKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O6S/c1-23(11-4-2-10(20)3-5-11)30(27,28)12-6-7-14-13(8-12)16-15(29-19(25)26)9-21-17(16)18(24)22-14/h2-9,21H,1H3,(H,22,24)(H,25,26).
What are the key properties of [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate?
[8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate has a molecular weight of 431.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate is sourced from PubChem (CID 68567509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).