[1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide

C17H17Cl2N5O2S — CID 162751460

IUPAC[1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C17H17Cl2N5O2S/c18-13-2-1-12-14(24-6-4-21-10-24)7-15(22-17(12)16(13)19)23-5-3-11(8-23)9-27(20,25)26/h1-2,4,6-7,10-11H,3,5,8-9H2,(H2,20,25,26)
InChIKeyTZYSDIXAOQFVGA-UHFFFAOYSA-N
MW426.33 g/mol
LogP2.84
Rot. Bonds4

About [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide

[1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 162751460) has the molecular formula C17H17Cl2N5O2S and a molecular weight of 426.33 g/mol. Its IUPAC name is [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID162751460
Molecular FormulaC17H17Cl2N5O2S
Molecular Weight426.33 g/mol
Exact Mass425.05
IUPAC Name[1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C17H17Cl2N5O2S/c18-13-2-1-12-14(24-6-4-21-10-24)7-15(22-17(12)16(13)19)23-5-3-11(8-23)9-27(20,25)26/h1-2,4,6-7,10-11H,3,5,8-9H2,(H2,20,25,26)
InChIKeyTZYSDIXAOQFVGA-UHFFFAOYSA-N
XLogP2.84
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide 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

(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine
CID 162750916
7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
CID 174164707
1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine
CID 169001726
(3S)-1-(8-bromo-7-chloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-ol
CID 174164774
1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 175441445
N-[(3R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]benzamide
CID 174164712
8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 167396104
4-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-2-methoxycarbonylpiperazine-1-carboxylic acid
CID 172749227
2,2,2-trifluoroethyl (2S,3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylate
CID 162750527
(2S,4R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-4-methylpyrrolidine-2-carboxylic acid
CID 162750282
(2S,3S,4R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 162750830
[(2S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 162750969

Frequently Asked Questions

What is the IUPAC name of [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide (CID 162751460) is [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1.
What is the InChIKey of [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is TZYSDIXAOQFVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2S/c18-13-2-1-12-14(24-6-4-21-10-24)7-15(22-17(12)16(13)19)23-5-3-11(8-23)9-27(20,25)26/h1-2,4,6-7,10-11H,3,5,8-9H2,(H2,20,25,26).
What are the key properties of [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
[1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 426.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 162751460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).