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

C23H25Cl2N3O — CID 71661223

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H25Cl2N3O/c24-17-7-10-19(25)16(14-17)15-26-11-3-6-22(26)23(29)28-13-12-27(18-8-9-18)20-4-1-2-5-21(20)28/h1-2,4-5,7,10,14,18,22H,3,6,8-9,11-13,15H2/t22-/m1/s1
InChIKeyNOTZGYQAOBWBNX-JOCHJYFZSA-N
MW430.38 g/mol
LogP4.97
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone (PubChem CID 71661223) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone
PubChem CID71661223
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H25Cl2N3O/c24-17-7-10-19(25)16(14-17)15-26-11-3-6-22(26)23(29)28-13-12-27(18-8-9-18)20-4-1-2-5-21(20)28/h1-2,4-5,7,10,14,18,22H,3,6,8-9,11-13,15H2/t22-/m1/s1
InChIKeyNOTZGYQAOBWBNX-JOCHJYFZSA-N
XLogP4.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[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
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-2-yl]methanone
CID 71661187
(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-[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
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone
CID 71661221
3-[2,5-dichloro-4-[[(2S)-2-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyrrolidin-1-yl]methyl]phenyl]-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
CID 118093493
3-[2,5-dichloro-4-[[2-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyrrolidin-1-yl]methyl]phenyl]-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
CID 123918384
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
tert-butyl (2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine-2-carboxylate
CID 115537654

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone (CID 71661223) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone?
The InChIKey is NOTZGYQAOBWBNX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c24-17-7-10-19(25)16(14-17)15-26-11-3-6-22(26)23(29)28-13-12-27(18-8-9-18)20-4-1-2-5-21(20)28/h1-2,4-5,7,10,14,18,22H,3,6,8-9,11-13,15H2/t22-/m1/s1.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone has a molecular weight of 430.38 g/mol, XLogP of 4.97, 4 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)-[(2R)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 71661223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).