[8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate

C20H23N3O7S — CID 68563491

IUPAC[8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate
SMILESCCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CCO)C4CC4)cc3c12
InChIInChI=1S/C20H23N3O7S/c1-2-9-29-20(26)30-16-11-21-18-17(16)14-10-13(5-6-15(14)22-19(18)25)31(27,28)23(7-8-24)12-3-4-12/h5-6,10-12,21,24H,2-4,7-9H2,1H3,(H,22,25)
InChIKeyKENWCTRNLUPQEY-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.08
Rot. Bonds8

About [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate

[8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate (PubChem CID 68563491) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate.

Molecular Properties

Compound Name[8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate
PubChem CID68563491
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name[8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate
SMILESCCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CCO)C4CC4)cc3c12
InChIInChI=1S/C20H23N3O7S/c1-2-9-29-20(26)30-16-11-21-18-17(16)14-10-13(5-6-15(14)22-19(18)25)31(27,28)23(7-8-24)12-3-4-12/h5-6,10-12,21,24H,2-4,7-9H2,1H3,(H,22,25)
InChIKeyKENWCTRNLUPQEY-UHFFFAOYSA-N
XLogP2.08
TPSA141.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate
CID 68566960
[8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride
CID 68566496
propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride
CID 161136640
propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15947288
(8-benzylsulfonyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) ethyl carbonate
CID 68569515
[8-[cyclopropyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] ethyl carbonate
CID 68562984
propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15948392
3-[8-[2-cyanoethyl(cyclopropyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68936450
ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
CID 68567690
propyl 8-[cyanomethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15948858
[8-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] hydrogen carbonate
CID 68567509
8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564641

Frequently Asked Questions

What is the IUPAC name of [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
The IUPAC name of [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate (CID 68563491) is [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate.
What is the SMILES notation for [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
The canonical SMILES for [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate is CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CCO)C4CC4)cc3c12.
What is the InChIKey of [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
The InChIKey is KENWCTRNLUPQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-2-9-29-20(26)30-16-11-21-18-17(16)14-10-13(5-6-15(14)22-19(18)25)31(27,28)23(7-8-24)12-3-4-12/h5-6,10-12,21,24H,2-4,7-9H2,1H3,(H,22,25).
What are the key properties of [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
[8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate has a molecular weight of 449.49 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate is sourced from PubChem (CID 68563491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).