1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

C20H26ClN5O — CID 134130877

IUPAC1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)CC1
InChIInChI=1S/C20H26ClN5O/c1-23-6-8-24(9-7-23)15-20(27)26-12-10-25(11-13-26)19-4-5-22-18-14-16(21)2-3-17(18)19/h2-5,14H,6-13,15H2,1H3
InChIKeyIRICXJUXEWRNFV-UHFFFAOYSA-N
MW387.92 g/mol
LogP1.78
Rot. Bonds3

About 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 134130877) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID134130877
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)CC1
InChIInChI=1S/C20H26ClN5O/c1-23-6-8-24(9-7-23)15-20(27)26-12-10-25(11-13-26)19-4-5-22-18-14-16(21)2-3-17(18)19/h2-5,14H,6-13,15H2,1H3
InChIKeyIRICXJUXEWRNFV-UHFFFAOYSA-N
XLogP1.78
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 134130877) is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)CC1.
What is the InChIKey of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is IRICXJUXEWRNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-23-6-8-24(9-7-23)15-20(27)26-12-10-25(11-13-26)19-4-5-22-18-14-16(21)2-3-17(18)19/h2-5,14H,6-13,15H2,1H3.
What are the key properties of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 387.92 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 134130877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).