(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide

C23H25ClN4O4S — CID 135965515

IUPAC(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide
SMILESC/C(O)=C/C(N)=N\S(=O)(=O)c1ccc(N2CC[C@H](N3CCCc4cc(Cl)ccc43)C2=O)cc1
InChIInChI=1S/C23H25ClN4O4S/c1-15(29)13-22(25)26-33(31,32)19-7-5-18(6-8-19)27-12-10-21(23(27)30)28-11-2-3-16-14-17(24)4-9-20(16)28/h4-9,13-14,21,29H,2-3,10-12H2,1H3,(H2,25,26)/b15-13-/t21-/m0/s1
InChIKeyRAWODSMEYLJNBU-ROOORRATSA-N
MW489.00 g/mol
LogP3.41
Rot. Bonds5

About (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide

(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide (PubChem CID 135965515) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide
PubChem CID135965515
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide
SMILESC/C(O)=C/C(N)=N\S(=O)(=O)c1ccc(N2CC[C@H](N3CCCc4cc(Cl)ccc43)C2=O)cc1
InChIInChI=1S/C23H25ClN4O4S/c1-15(29)13-22(25)26-33(31,32)19-7-5-18(6-8-19)27-12-10-21(23(27)30)28-11-2-3-16-14-17(24)4-9-20(16)28/h4-9,13-14,21,29H,2-3,10-12H2,1H3,(H2,25,26)/b15-13-/t21-/m0/s1
InChIKeyRAWODSMEYLJNBU-ROOORRATSA-N
XLogP3.41
TPSA116.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen
CID 157382543
4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 58215396
4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;(3R)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)pyrrolidin-2-one;methane
CID 159512133
4-[(3S)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinic acid
CID 58215099
4-[(3R)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 97011711
(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one
CID 59465621
N'-[4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonyl-4-iminobut-2-enimidamide
CID 123385858
4-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzenesulfinic acid
CID 58215306
4-[(3S)-3-(5,6-dichloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466398
4-[(3S)-3-(6-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3R)-3-(2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158508347
4-[(3S)-3-(4-butylsulfonylpiperazin-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(5-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159797382
4-[(3S)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]benzenesulfinate;1,3-thiazol-2-amine
CID 158742916

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide?
The IUPAC name of (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide (CID 135965515) is (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide.
What is the SMILES notation for (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide?
The canonical SMILES for (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide is C/C(O)=C/C(N)=N\S(=O)(=O)c1ccc(N2CC[C@H](N3CCCc4cc(Cl)ccc43)C2=O)cc1.
What is the InChIKey of (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide?
The InChIKey is RAWODSMEYLJNBU-ROOORRATSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-15(29)13-22(25)26-33(31,32)19-7-5-18(6-8-19)27-12-10-21(23(27)30)28-11-2-3-16-14-17(24)4-9-20(16)28/h4-9,13-14,21,29H,2-3,10-12H2,1H3,(H2,25,26)/b15-13-/t21-/m0/s1.
What are the key properties of (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide?
(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide has a molecular weight of 489.00 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide is sourced from PubChem (CID 135965515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).