propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C20H24FN3O6S — CID 15948620

IUPACpropyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3cc(F)c(S(=O)(=O)N(CCO)C(C)C)cc3c12
InChIInChI=1S/C20H24FN3O6S/c1-4-7-30-20(27)13-10-22-18-17(13)12-8-16(14(21)9-15(12)23-19(18)26)31(28,29)24(5-6-25)11(2)3/h8-11,22,25H,4-7H2,1-3H3,(H,23,26)
InChIKeyDEDQRMRTRYMTOP-UHFFFAOYSA-N
MW453.49 g/mol
LogP2.11
Rot. Bonds8

About propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15948620) has the molecular formula C20H24FN3O6S and a molecular weight of 453.49 g/mol. Its IUPAC name is propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Namepropyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15948620
Molecular FormulaC20H24FN3O6S
Molecular Weight453.49 g/mol
Exact Mass453.14
IUPAC Namepropyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3cc(F)c(S(=O)(=O)N(CCO)C(C)C)cc3c12
InChIInChI=1S/C20H24FN3O6S/c1-4-7-30-20(27)13-10-22-18-17(13)12-8-16(14(21)9-15(12)23-19(18)26)31(28,29)24(5-6-25)11(2)3/h8-11,22,25H,4-7H2,1-3H3,(H,23,26)
InChIKeyDEDQRMRTRYMTOP-UHFFFAOYSA-N
XLogP2.11
TPSA132.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15948620) is propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCCOC(=O)c1c[nH]c2c(=O)[nH]c3cc(F)c(S(=O)(=O)N(CCO)C(C)C)cc3c12.
What is the InChIKey of propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is DEDQRMRTRYMTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O6S/c1-4-7-30-20(27)13-10-22-18-17(13)12-8-16(14(21)9-15(12)23-19(18)26)31(28,29)24(5-6-25)11(2)3/h8-11,22,25H,4-7H2,1-3H3,(H,23,26).
What are the key properties of propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 453.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15948620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).