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

C23H31ClN4O6S — CID 68566496

IUPAC[8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride
SMILESCCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CC(C)(C)NC)C4CC4)cc3c12.Cl
InChIInChI=1S/C23H30N4O6S.ClH/c1-5-10-32-22(29)33-18-12-25-20-19(18)16-11-15(8-9-17(16)26-21(20)28)34(30,31)27(14-6-7-14)13-23(2,3)24-4;/h8-9,11-12,14,24-25H,5-7,10,13H2,1-4H3,(H,26,28);1H
InChIKeyYVBOKEUPQRTFRN-UHFFFAOYSA-N
MW527.04 g/mol
LogP3.51
Rot. Bonds9

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

[8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride (PubChem CID 68566496) has the molecular formula C23H31ClN4O6S and a molecular weight of 527.04 g/mol. Its IUPAC name is [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride.

Molecular Properties

Compound Name[8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride
PubChem CID68566496
Molecular FormulaC23H31ClN4O6S
Molecular Weight527.04 g/mol
Exact Mass526.17
IUPAC Name[8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride
SMILESCCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CC(C)(C)NC)C4CC4)cc3c12.Cl
InChIInChI=1S/C23H30N4O6S.ClH/c1-5-10-32-22(29)33-18-12-25-20-19(18)16-11-15(8-9-17(16)26-21(20)28)34(30,31)27(14-6-7-14)13-23(2,3)24-4;/h8-9,11-12,14,24-25H,5-7,10,13H2,1-4H3,(H,26,28);1H
InChIKeyYVBOKEUPQRTFRN-UHFFFAOYSA-N
XLogP3.51
TPSA133.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.04
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride?
The IUPAC name of [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride (CID 68566496) is [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride.
What is the SMILES notation for [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride?
The canonical SMILES for [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride is CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CC(C)(C)NC)C4CC4)cc3c12.Cl.
What is the InChIKey of [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride?
The InChIKey is YVBOKEUPQRTFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S.ClH/c1-5-10-32-22(29)33-18-12-25-20-19(18)16-11-15(8-9-17(16)26-21(20)28)34(30,31)27(14-6-7-14)13-23(2,3)24-4;/h8-9,11-12,14,24-25H,5-7,10,13H2,1-4H3,(H,26,28);1H.
What are the key properties of [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride?
[8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride has a molecular weight of 527.04 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[cyclopropyl-[2-methyl-2-(methylamino)propyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate;hydrochloride is sourced from PubChem (CID 68566496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).