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

C24H25Cl2N5O — CID 90038390

IUPAC[4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CCCC2)CC1
InChIInChI=1S/C24H25Cl2N5O/c25-16-9-10-19(26)18(15-16)24(32)31-13-11-30(12-14-31)23-22(27-17-5-1-2-6-17)28-20-7-3-4-8-21(20)29-23/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,27,28)
InChIKeyYTOOCTKLMFANGP-UHFFFAOYSA-N
MW470.40 g/mol
LogP5.25
Rot. Bonds4

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

[4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 90038390) has the molecular formula C24H25Cl2N5O and a molecular weight of 470.40 g/mol. Its IUPAC name is [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID90038390
Molecular FormulaC24H25Cl2N5O
Molecular Weight470.40 g/mol
Exact Mass469.14
IUPAC Name[4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CCCC2)CC1
InChIInChI=1S/C24H25Cl2N5O/c25-16-9-10-19(26)18(15-16)24(32)31-13-11-30(12-14-31)23-22(27-17-5-1-2-6-17)28-20-7-3-4-8-21(20)29-23/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,27,28)
InChIKeyYTOOCTKLMFANGP-UHFFFAOYSA-N
XLogP5.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.40
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone (CID 90038390) is [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(c2nc3ccccc3nc2NC2CCCC2)CC1.
What is the InChIKey of [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is YTOOCTKLMFANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O/c25-16-9-10-19(26)18(15-16)24(32)31-13-11-30(12-14-31)23-22(27-17-5-1-2-6-17)28-20-7-3-4-8-21(20)29-23/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,27,28).
What are the key properties of [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
[4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 470.40 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclopentylamino)quinoxalin-2-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 90038390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).