4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid

C19H20FN3O5S — CID 68937775

IUPAC4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid
SMILESCN(C1CC1)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]cc(CCCC(=O)O)c12
InChIInChI=1S/C19H20FN3O5S/c1-23(11-5-6-11)29(27,28)15-7-12-14(8-13(15)20)22-19(26)18-17(12)10(9-21-18)3-2-4-16(24)25/h7-9,11,21H,2-6H2,1H3,(H,22,26)(H,24,25)
InChIKeyZQQJKUPYCUCSDT-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.34
Rot. Bonds7

About 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid

4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid (PubChem CID 68937775) has the molecular formula C19H20FN3O5S and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid
PubChem CID68937775
Molecular FormulaC19H20FN3O5S
Molecular Weight421.45 g/mol
Exact Mass421.11
IUPAC Name4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid
SMILESCN(C1CC1)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]cc(CCCC(=O)O)c12
InChIInChI=1S/C19H20FN3O5S/c1-23(11-5-6-11)29(27,28)15-7-12-14(8-13(15)20)22-19(26)18-17(12)10(9-21-18)3-2-4-16(24)25/h7-9,11,21H,2-6H2,1H3,(H,22,26)(H,24,25)
InChIKeyZQQJKUPYCUCSDT-UHFFFAOYSA-N
XLogP2.34
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid with MolForge

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Related Compounds

3-Substituted indolin-2-one 11c
CID 5329140
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CID 56649332
(2R)-2-[[4-[(2-fluoropyridine-4-carbonyl)amino]phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 71734108
(2R)-2-[[4-[(4-fluoropyridine-2-carbonyl)amino]phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 71734197
3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 16312044
(2R)-2-[[4-[(4-(18F)fluorobenzoyl)amino]phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 56649385
Propyl 8-(dimethylsulfamoyl)-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15947403
Propyl 8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15947404
Propyl 7-fluoro-8-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15948620
8-[(4-Fluorophenyl)-methyl-sulfamoyl]-4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 57576069
8-[(3,5-Difluorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564092
8-[(3-Fluoro-2-methylphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564285

Frequently Asked Questions

What is the IUPAC name of 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid?
The IUPAC name of 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid (CID 68937775) is 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid.
What is the SMILES notation for 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid?
The canonical SMILES for 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid is CN(C1CC1)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]cc(CCCC(=O)O)c12.
What is the InChIKey of 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid?
The InChIKey is ZQQJKUPYCUCSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5S/c1-23(11-5-6-11)29(27,28)15-7-12-14(8-13(15)20)22-19(26)18-17(12)10(9-21-18)3-2-4-16(24)25/h7-9,11,21H,2-6H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid?
4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid has a molecular weight of 421.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[cyclopropyl(methyl)sulfamoyl]-7-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid is sourced from PubChem (CID 68937775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).