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

C24H27Cl2N3OS — CID 118093510

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone
SMILESCC1(C)SC[C@@H](C(=O)N2CCN(C3CC3)c3ccccc32)N1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C24H27Cl2N3OS/c1-24(2)29(14-16-13-17(25)7-10-19(16)26)22(15-31-24)23(30)28-12-11-27(18-8-9-18)20-5-3-4-6-21(20)28/h3-7,10,13,18,22H,8-9,11-12,14-15H2,1-2H3/t22-/m0/s1
InChIKeyLHLAYHXMGVWVBK-QFIPXVFZSA-N
MW476.47 g/mol
LogP5.66
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone (PubChem CID 118093510) has the molecular formula C24H27Cl2N3OS and a molecular weight of 476.47 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone
PubChem CID118093510
Molecular FormulaC24H27Cl2N3OS
Molecular Weight476.47 g/mol
Exact Mass475.13
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone
SMILESCC1(C)SC[C@@H](C(=O)N2CCN(C3CC3)c3ccccc32)N1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C24H27Cl2N3OS/c1-24(2)29(14-16-13-17(25)7-10-19(16)26)22(15-31-24)23(30)28-12-11-27(18-8-9-18)20-5-3-4-6-21(20)28/h3-7,10,13,18,22H,8-9,11-12,14-15H2,1-2H3/t22-/m0/s1
InChIKeyLHLAYHXMGVWVBK-QFIPXVFZSA-N
XLogP5.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.47
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone (CID 118093510) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone is CC1(C)SC[C@@H](C(=O)N2CCN(C3CC3)c3ccccc32)N1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is LHLAYHXMGVWVBK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27Cl2N3OS/c1-24(2)29(14-16-13-17(25)7-10-19(16)26)22(15-31-24)23(30)28-12-11-27(18-8-9-18)20-5-3-4-6-21(20)28/h3-7,10,13,18,22H,8-9,11-12,14-15H2,1-2H3/t22-/m0/s1.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 476.47 g/mol, XLogP of 5.66, 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)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-2,2-dimethyl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 118093510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).