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

C23H25Cl2N3OS — CID 71660822

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone
SMILESO=C([C@@H]1CSCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H25Cl2N3OS/c24-17-5-8-19(25)16(13-17)14-26-11-12-30-15-22(26)23(29)28-10-9-27(18-6-7-18)20-3-1-2-4-21(20)28/h1-5,8,13,18,22H,6-7,9-12,14-15H2/t22-/m0/s1
InChIKeyZYTAIZIRDNQZKZ-QFIPXVFZSA-N
MW462.45 g/mol
LogP4.93
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone (PubChem CID 71660822) has the molecular formula C23H25Cl2N3OS and a molecular weight of 462.45 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone
PubChem CID71660822
Molecular FormulaC23H25Cl2N3OS
Molecular Weight462.45 g/mol
Exact Mass461.11
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone
SMILESO=C([C@@H]1CSCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H25Cl2N3OS/c24-17-5-8-19(25)16(13-17)14-26-11-12-30-15-22(26)23(29)28-10-9-27(18-6-7-18)20-3-1-2-4-21(20)28/h1-5,8,13,18,22H,6-7,9-12,14-15H2/t22-/m0/s1
InChIKeyZYTAIZIRDNQZKZ-QFIPXVFZSA-N
XLogP4.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone (CID 71660822) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone is O=C([C@@H]1CSCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone?
The InChIKey is ZYTAIZIRDNQZKZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25Cl2N3OS/c24-17-5-8-19(25)16(13-17)14-26-11-12-30-15-22(26)23(29)28-10-9-27(18-6-7-18)20-3-1-2-4-21(20)28/h1-5,8,13,18,22H,6-7,9-12,14-15H2/t22-/m0/s1.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone has a molecular weight of 462.45 g/mol, XLogP of 4.93, 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)-[(3R)-4-[(2,5-dichlorophenyl)methyl]thiomorpholin-3-yl]methanone is sourced from PubChem (CID 71660822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).