2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline

C26H28N6 — CID 108777261

IUPAC2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
SMILESCc1cc(N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C26H28N6/c1-19-18-24(27-21-9-3-2-8-20(19)21)30-14-16-32(17-15-30)26-25(31-12-6-7-13-31)28-22-10-4-5-11-23(22)29-26/h2-5,8-11,18H,6-7,12-17H2,1H3
InChIKeyICFHAHCLIZRXRU-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.41
Rot. Bonds3

About 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline

2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline (PubChem CID 108777261) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
PubChem CID108777261
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
SMILESCc1cc(N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C26H28N6/c1-19-18-24(27-21-9-3-2-8-20(19)21)30-14-16-32(17-15-30)26-25(31-12-6-7-13-31)28-22-10-4-5-11-23(22)29-26/h2-5,8-11,18H,6-7,12-17H2,1H3
InChIKeyICFHAHCLIZRXRU-UHFFFAOYSA-N
XLogP4.41
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline (CID 108777261) is 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline is Cc1cc(N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is ICFHAHCLIZRXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-19-18-24(27-21-9-3-2-8-20(19)21)30-14-16-32(17-15-30)26-25(31-12-6-7-13-31)28-22-10-4-5-11-23(22)29-26/h2-5,8-11,18H,6-7,12-17H2,1H3.
What are the key properties of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 424.55 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 108777261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).