propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C26H34N4O7S — CID 15947288

IUPACpropyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@H](C)NC(=O)OC(C)(C)C)C4CC4)cc3c12
InChIInChI=1S/C26H34N4O7S/c1-6-11-36-24(32)19-13-27-22-21(19)18-12-17(9-10-20(18)29-23(22)31)38(34,35)30(16-7-8-16)14-15(2)28-25(33)37-26(3,4)5/h9-10,12-13,15-16,27H,6-8,11,14H2,1-5H3,(H,28,33)(H,29,31)/t15-/m0/s1
InChIKeyOWHRQTMUZAOMFP-HNNXBMFYSA-N
MW546.65 g/mol
LogP3.64
Rot. Bonds9

About propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15947288) has the molecular formula C26H34N4O7S and a molecular weight of 546.65 g/mol. Its IUPAC name is propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Namepropyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15947288
Molecular FormulaC26H34N4O7S
Molecular Weight546.65 g/mol
Exact Mass546.21
IUPAC Namepropyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@H](C)NC(=O)OC(C)(C)C)C4CC4)cc3c12
InChIInChI=1S/C26H34N4O7S/c1-6-11-36-24(32)19-13-27-22-21(19)18-12-17(9-10-20(18)29-23(22)31)38(34,35)30(16-7-8-16)14-15(2)28-25(33)37-26(3,4)5/h9-10,12-13,15-16,27H,6-8,11,14H2,1-5H3,(H,28,33)(H,29,31)/t15-/m0/s1
InChIKeyOWHRQTMUZAOMFP-HNNXBMFYSA-N
XLogP3.64
TPSA150.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.65
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of 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) is propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@H](C)NC(=O)OC(C)(C)C)C4CC4)cc3c12.
What is the InChIKey of propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is OWHRQTMUZAOMFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H34N4O7S/c1-6-11-36-24(32)19-13-27-22-21(19)18-12-17(9-10-20(18)29-23(22)31)38(34,35)30(16-7-8-16)14-15(2)28-25(33)37-26(3,4)5/h9-10,12-13,15-16,27H,6-8,11,14H2,1-5H3,(H,28,33)(H,29,31)/t15-/m0/s1.
What are the key properties of propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 546.65 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 8-[cyclopropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15947288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).