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

C23H30N4O6S — CID 68566960

IUPAC[8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]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(CCNC(C)C)C4CC4)cc3c12
InChIInChI=1S/C23H30N4O6S/c1-4-11-32-23(29)33-19-13-25-21-20(19)17-12-16(7-8-18(17)26-22(21)28)34(30,31)27(15-5-6-15)10-9-24-14(2)3/h7-8,12-15,24-25H,4-6,9-11H2,1-3H3,(H,26,28)
InChIKeyQVYQWSFVBDRSKL-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.09
Rot. Bonds10

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

[8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate (PubChem CID 68566960) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate.

Molecular Properties

Compound Name[8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate
PubChem CID68566960
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC Name[8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]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(CCNC(C)C)C4CC4)cc3c12
InChIInChI=1S/C23H30N4O6S/c1-4-11-32-23(29)33-19-13-25-21-20(19)17-12-16(7-8-18(17)26-22(21)28)34(30,31)27(15-5-6-15)10-9-24-14(2)3/h7-8,12-15,24-25H,4-6,9-11H2,1-3H3,(H,26,28)
InChIKeyQVYQWSFVBDRSKL-UHFFFAOYSA-N
XLogP3.09
TPSA133.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
The IUPAC name of [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate (CID 68566960) is [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate.
What is the SMILES notation for [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
The canonical SMILES for [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]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(CCNC(C)C)C4CC4)cc3c12.
What is the InChIKey of [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
The InChIKey is QVYQWSFVBDRSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-4-11-32-23(29)33-19-13-25-21-20(19)17-12-16(7-8-18(17)26-22(21)28)34(30,31)27(15-5-6-15)10-9-24-14(2)3/h7-8,12-15,24-25H,4-6,9-11H2,1-3H3,(H,26,28).
What are the key properties of [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate?
[8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate has a molecular weight of 490.58 g/mol, XLogP of 3.09, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate is sourced from PubChem (CID 68566960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).