(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one

C23H23Cl2N3O2 — CID 118093465

IUPAC(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CCC(=O)N1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H23Cl2N3O2/c24-16-5-8-18(25)15(13-16)14-28-21(9-10-22(28)29)23(30)27-12-11-26(17-6-7-17)19-3-1-2-4-20(19)27/h1-5,8,13,17,21H,6-7,9-12,14H2/t21-/m0/s1
InChIKeyWHTOHXJKDUVYDN-NRFANRHFSA-N
MW444.36 g/mol
LogP4.50
Rot. Bonds4

About (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one

(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one (PubChem CID 118093465) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one
PubChem CID118093465
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CCC(=O)N1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H23Cl2N3O2/c24-16-5-8-18(25)15(13-16)14-28-21(9-10-22(28)29)23(30)27-12-11-26(17-6-7-17)19-3-1-2-4-20(19)27/h1-5,8,13,17,21H,6-7,9-12,14H2/t21-/m0/s1
InChIKeyWHTOHXJKDUVYDN-NRFANRHFSA-N
XLogP4.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one (CID 118093465) is (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one is O=C([C@@H]1CCC(=O)N1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is WHTOHXJKDUVYDN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c24-16-5-8-18(25)15(13-16)14-28-21(9-10-22(28)29)23(30)27-12-11-26(17-6-7-17)19-3-1-2-4-20(19)27/h1-5,8,13,17,21H,6-7,9-12,14H2/t21-/m0/s1.
What are the key properties of (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one?
(5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 444.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 118093465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).