8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

C21H24N4O5S — CID 68564641

IUPAC8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN1CCC[C@@H]1CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C21H24N4O5S/c1-24-8-2-3-13(24)11-25(12-4-5-12)31(29,30)14-6-7-17-15(9-14)18-16(21(27)28)10-22-19(18)20(26)23-17/h6-7,9-10,12-13,22H,2-5,8,11H2,1H3,(H,23,26)(H,27,28)/t13-/m1/s1
InChIKeyULKIHFVQRULOOS-CYBMUJFWSA-N
MW444.51 g/mol
LogP1.95
Rot. Bonds6

About 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68564641) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68564641
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN1CCC[C@@H]1CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C21H24N4O5S/c1-24-8-2-3-13(24)11-25(12-4-5-12)31(29,30)14-6-7-17-15(9-14)18-16(21(27)28)10-22-19(18)20(26)23-17/h6-7,9-10,12-13,22H,2-5,8,11H2,1H3,(H,23,26)(H,27,28)/t13-/m1/s1
InChIKeyULKIHFVQRULOOS-CYBMUJFWSA-N
XLogP1.95
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid 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 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 68564641) is 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is CN1CCC[C@@H]1CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1.
What is the InChIKey of 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is ULKIHFVQRULOOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-24-8-2-3-13(24)11-25(12-4-5-12)31(29,30)14-6-7-17-15(9-14)18-16(21(27)28)10-22-19(18)20(26)23-17/h6-7,9-10,12-13,22H,2-5,8,11H2,1H3,(H,23,26)(H,27,28)/t13-/m1/s1.
What are the key properties of 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 444.51 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68564641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).