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

C23H24Cl2FN3O — CID 71660979

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@@H](F)CN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H24Cl2FN3O/c24-16-5-8-19(25)15(11-16)13-27-14-17(26)12-22(27)23(30)29-10-9-28(18-6-7-18)20-3-1-2-4-21(20)29/h1-5,8,11,17-18,22H,6-7,9-10,12-14H2/t17-,22+/m1/s1
InChIKeyGWZRJTWIRVHBKY-VGSWGCGISA-N
MW448.37 g/mol
LogP4.92
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone (PubChem CID 71660979) has the molecular formula C23H24Cl2FN3O and a molecular weight of 448.37 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone
PubChem CID71660979
Molecular FormulaC23H24Cl2FN3O
Molecular Weight448.37 g/mol
Exact Mass447.13
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@@H](F)CN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H24Cl2FN3O/c24-16-5-8-19(25)15(11-16)13-27-14-17(26)12-22(27)23(30)29-10-9-28(18-6-7-18)20-3-1-2-4-21(20)29/h1-5,8,11,17-18,22H,6-7,9-10,12-14H2/t17-,22+/m1/s1
InChIKeyGWZRJTWIRVHBKY-VGSWGCGISA-N
XLogP4.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone (CID 71660979) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@@H](F)CN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone?
The InChIKey is GWZRJTWIRVHBKY-VGSWGCGISA-N. The full InChI is InChI=1S/C23H24Cl2FN3O/c24-16-5-8-19(25)15(11-16)13-27-14-17(26)12-22(27)23(30)29-10-9-28(18-6-7-18)20-3-1-2-4-21(20)29/h1-5,8,11,17-18,22H,6-7,9-10,12-14H2/t17-,22+/m1/s1.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone has a molecular weight of 448.37 g/mol, XLogP of 4.92, 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)-[(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone is sourced from PubChem (CID 71660979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).