4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine

C22H22N6 — CID 168937210

IUPAC4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
SMILESc1ccc2c(N3CCNCC3)c(NCc3ccc4nccnc4c3)cnc2c1
InChIInChI=1S/C22H22N6/c1-2-4-18-17(3-1)22(28-11-9-23-10-12-28)21(15-27-18)26-14-16-5-6-19-20(13-16)25-8-7-24-19/h1-8,13,15,23,26H,9-12,14H2
InChIKeyOQANWBDYZRXFNK-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.20
Rot. Bonds4

About 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine

4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine (PubChem CID 168937210) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
PubChem CID168937210
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
SMILESc1ccc2c(N3CCNCC3)c(NCc3ccc4nccnc4c3)cnc2c1
InChIInChI=1S/C22H22N6/c1-2-4-18-17(3-1)22(28-11-9-23-10-12-28)21(15-27-18)26-14-16-5-6-19-20(13-16)25-8-7-24-19/h1-8,13,15,23,26H,9-12,14H2
InChIKeyOQANWBDYZRXFNK-UHFFFAOYSA-N
XLogP3.20
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
The IUPAC name of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine (CID 168937210) is 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine.
What is the SMILES notation for 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
The canonical SMILES for 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine is c1ccc2c(N3CCNCC3)c(NCc3ccc4nccnc4c3)cnc2c1.
What is the InChIKey of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
The InChIKey is OQANWBDYZRXFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-2-4-18-17(3-1)22(28-11-9-23-10-12-28)21(15-27-18)26-14-16-5-6-19-20(13-16)25-8-7-24-19/h1-8,13,15,23,26H,9-12,14H2.
What are the key properties of 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine?
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine has a molecular weight of 370.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine is sourced from PubChem (CID 168937210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).