propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride

C23H29ClN4O5S — CID 161136640

IUPACpropyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@H]4CCCN4)C4CC4)cc3c12.Cl
InChIInChI=1S/C23H28N4O5S.ClH/c1-2-10-32-23(29)18-12-25-21-20(18)17-11-16(7-8-19(17)26-22(21)28)33(30,31)27(15-5-6-15)13-14-4-3-9-24-14;/h7-8,11-12,14-15,24-25H,2-6,9-10,13H2,1H3,(H,26,28);1H/t14-;/m1./s1
InChIKeyUQHDZLFFERMOFR-PFEQFJNWSA-N
MW509.03 g/mol
LogP2.90
Rot. Bonds8

About propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride

propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride (PubChem CID 161136640) has the molecular formula C23H29ClN4O5S and a molecular weight of 509.03 g/mol. Its IUPAC name is propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride
PubChem CID161136640
Molecular FormulaC23H29ClN4O5S
Molecular Weight509.03 g/mol
Exact Mass508.15
IUPAC Namepropyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride
SMILESCCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@H]4CCCN4)C4CC4)cc3c12.Cl
InChIInChI=1S/C23H28N4O5S.ClH/c1-2-10-32-23(29)18-12-25-21-20(18)17-11-16(7-8-19(17)26-22(21)28)33(30,31)27(15-5-6-15)13-14-4-3-9-24-14;/h7-8,11-12,14-15,24-25H,2-6,9-10,13H2,1H3,(H,26,28);1H/t14-;/m1./s1
InChIKeyUQHDZLFFERMOFR-PFEQFJNWSA-N
XLogP2.90
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.03
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride?
The IUPAC name of propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride (CID 161136640) is propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride.
What is the SMILES notation for propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride?
The canonical SMILES for propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride is CCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@H]4CCCN4)C4CC4)cc3c12.Cl.
What is the InChIKey of propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride?
The InChIKey is UQHDZLFFERMOFR-PFEQFJNWSA-N. The full InChI is InChI=1S/C23H28N4O5S.ClH/c1-2-10-32-23(29)18-12-25-21-20(18)17-11-16(7-8-19(17)26-22(21)28)33(30,31)27(15-5-6-15)13-14-4-3-9-24-14;/h7-8,11-12,14-15,24-25H,2-6,9-10,13H2,1H3,(H,26,28);1H/t14-;/m1./s1.
What are the key properties of propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride?
propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride has a molecular weight of 509.03 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 8-[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate;hydrochloride is sourced from PubChem (CID 161136640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).