[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone

C22H21Cl2N5O — CID 73294912

IUPAC[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H21Cl2N5O/c23-14-5-8-17(24)16(13-14)22(30)29-11-9-28(10-12-29)21-20(25-15-6-7-15)26-18-3-1-2-4-19(18)27-21/h1-5,8,13,15H,6-7,9-12H2,(H,25,26)
InChIKeyWUHOXGAMPICNGF-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.47
Rot. Bonds4

About [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone

[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 73294912) has the molecular formula C22H21Cl2N5O and a molecular weight of 442.35 g/mol. Its IUPAC name is [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID73294912
Molecular FormulaC22H21Cl2N5O
Molecular Weight442.35 g/mol
Exact Mass441.11
IUPAC Name[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H21Cl2N5O/c23-14-5-8-17(24)16(13-14)22(30)29-11-9-28(10-12-29)21-20(25-15-6-7-15)26-18-3-1-2-4-19(18)27-21/h1-5,8,13,15H,6-7,9-12H2,(H,25,26)
InChIKeyWUHOXGAMPICNGF-UHFFFAOYSA-N
XLogP4.47
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone (CID 73294912) is [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1.
What is the InChIKey of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is WUHOXGAMPICNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O/c23-14-5-8-17(24)16(13-14)22(30)29-11-9-28(10-12-29)21-20(25-15-6-7-15)26-18-3-1-2-4-19(18)27-21/h1-5,8,13,15H,6-7,9-12H2,(H,25,26).
What are the key properties of [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
[4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 442.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclopropylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 73294912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).