(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone

C24H25Cl2N3O2 — CID 71661221

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C24H25Cl2N3O2/c25-16-8-11-19(26)18(15-16)23(30)28-12-4-3-7-22(28)24(31)29-14-13-27(17-9-10-17)20-5-1-2-6-21(20)29/h1-2,5-6,8,11,15,17,22H,3-4,7,9-10,12-14H2/t22-/m0/s1
InChIKeyZWDQEWLCUOUQNM-QFIPXVFZSA-N
MW458.39 g/mol
LogP5.00
Rot. Bonds3

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone (PubChem CID 71661221) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone
PubChem CID71661221
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C24H25Cl2N3O2/c25-16-8-11-19(26)18(15-16)23(30)28-12-4-3-7-22(28)24(31)29-14-13-27(17-9-10-17)20-5-1-2-6-21(20)29/h1-2,5-6,8,11,15,17,22H,3-4,7,9-10,12-14H2/t22-/m0/s1
InChIKeyZWDQEWLCUOUQNM-QFIPXVFZSA-N
XLogP5.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 71661223
[(2R)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 51937265
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[(2R)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]methanone
CID 94103130
(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one
CID 118093465
[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 118093383
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-[(2,5-dichlorophenyl)methyl]-4,4-difluoropyrrolidin-2-yl]methanone
CID 118093410
[5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl] benzoate
CID 118093515
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95270564
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859316
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95282111
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone
CID 71661187
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone (CID 71661221) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone?
The InChIKey is ZWDQEWLCUOUQNM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c25-16-8-11-19(26)18(15-16)23(30)28-12-4-3-7-22(28)24(31)29-14-13-27(17-9-10-17)20-5-1-2-6-21(20)29/h1-2,5-6,8,11,15,17,22H,3-4,7,9-10,12-14H2/t22-/m0/s1.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone has a molecular weight of 458.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone is sourced from PubChem (CID 71661221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).