(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone

C22H23Cl2N3OS — CID 71661187

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone
SMILESO=C(C1SCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H23Cl2N3OS/c23-16-5-8-18(24)15(13-16)14-25-11-12-29-22(25)21(28)27-10-9-26(17-6-7-17)19-3-1-2-4-20(19)27/h1-5,8,13,17,22H,6-7,9-12,14H2
InChIKeyJMAHNYXPKMLLII-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.88
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone (PubChem CID 71661187) has the molecular formula C22H23Cl2N3OS and a molecular weight of 448.42 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone
PubChem CID71661187
Molecular FormulaC22H23Cl2N3OS
Molecular Weight448.42 g/mol
Exact Mass447.09
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone
SMILESO=C(C1SCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H23Cl2N3OS/c23-16-5-8-18(24)15(13-16)14-25-11-12-29-22(25)21(28)27-10-9-26(17-6-7-17)19-3-1-2-4-20(19)27/h1-5,8,13,17,22H,6-7,9-12,14H2
InChIKeyJMAHNYXPKMLLII-UHFFFAOYSA-N
XLogP4.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone 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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 71661223
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-[(2,5-dichlorophenyl)methyl]-4,4-difluoropyrrolidin-2-yl]methanone
CID 118093410
(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one
CID 118093465
[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl] benzoate
CID 118093515
[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 118093383
N-[1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropyl]-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 71661038
5-[2,5-dichloro-4-[[4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentanoic acid
CID 118093563
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone
CID 71661221
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-[(2,5-dichlorophenyl)methoxy]cyclobutyl]methanone;(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methoxy]-1-methylsulfonylazetidin-3-yl]methanone
CID 160986881
3-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
CID 118093535
5-[4-chloro-3-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
CID 159218976
1-[3-[2,5-dichloro-4-[[(2S)-2-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyrrolidin-1-yl]methyl]phenyl]propyl]-3-[3-[4-[3-[3-[2,5-dichloro-4-[[(2S)-2-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyrrolidin-1-yl]methyl]phenyl]propylcarbamoylamino]propyl]piperazin-1-yl]propyl]urea
CID 118103626

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone (CID 71661187) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone is O=C(C1SCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone?
The InChIKey is JMAHNYXPKMLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3OS/c23-16-5-8-18(24)15(13-16)14-25-11-12-29-22(25)21(28)27-10-9-26(17-6-7-17)19-3-1-2-4-20(19)27/h1-5,8,13,17,22H,6-7,9-12,14H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone has a molecular weight of 448.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone is sourced from PubChem (CID 71661187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).