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

C24H27Cl2N3O2 — CID 118093420

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCN(C3CC3)c3ccccc32)N(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C24H27Cl2N3O2/c1-31-19-13-23(27(15-19)14-16-12-17(25)6-9-20(16)26)24(30)29-11-10-28(18-7-8-18)21-4-2-3-5-22(21)29/h2-6,9,12,18-19,23H,7-8,10-11,13-15H2,1H3/t19-,23-/m0/s1
InChIKeyYKEKXUZALGCYOY-CVDCTZTESA-N
MW460.41 g/mol
LogP4.60
Rot. Bonds5

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone (PubChem CID 118093420) has the molecular formula C24H27Cl2N3O2 and a molecular weight of 460.41 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone
PubChem CID118093420
Molecular FormulaC24H27Cl2N3O2
Molecular Weight460.41 g/mol
Exact Mass459.15
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCN(C3CC3)c3ccccc32)N(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C24H27Cl2N3O2/c1-31-19-13-23(27(15-19)14-16-12-17(25)6-9-20(16)26)24(30)29-11-10-28(18-7-8-18)21-4-2-3-5-22(21)29/h2-6,9,12,18-19,23H,7-8,10-11,13-15H2,1H3/t19-,23-/m0/s1
InChIKeyYKEKXUZALGCYOY-CVDCTZTESA-N
XLogP4.60
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone (CID 118093420) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone is CO[C@H]1C[C@@H](C(=O)N2CCN(C3CC3)c3ccccc32)N(Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone?
The InChIKey is YKEKXUZALGCYOY-CVDCTZTESA-N. The full InChI is InChI=1S/C24H27Cl2N3O2/c1-31-19-13-23(27(15-19)14-16-12-17(25)6-9-20(16)26)24(30)29-11-10-28(18-7-8-18)21-4-2-3-5-22(21)29/h2-6,9,12,18-19,23H,7-8,10-11,13-15H2,1H3/t19-,23-/m0/s1.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone has a molecular weight of 460.41 g/mol, XLogP of 4.60, 5 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)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-methoxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 118093420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).