1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline

C21H29N5 — CID 175886353

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline
SMILESCN1CCN(CCCN2CCN(c3ccccn3)c3ccccc32)CC1
InChIInChI=1S/C21H29N5/c1-23-13-15-24(16-14-23)11-6-12-25-17-18-26(21-9-4-5-10-22-21)20-8-3-2-7-19(20)25/h2-5,7-10H,6,11-18H2,1H3
InChIKeyRLAFVNOZVUUMAR-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.68
Rot. Bonds5

About 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline

1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline (PubChem CID 175886353) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline
PubChem CID175886353
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline
SMILESCN1CCN(CCCN2CCN(c3ccccn3)c3ccccc32)CC1
InChIInChI=1S/C21H29N5/c1-23-13-15-24(16-14-23)11-6-12-25-17-18-26(21-9-4-5-10-22-21)20-8-3-2-7-19(20)25/h2-5,7-10H,6,11-18H2,1H3
InChIKeyRLAFVNOZVUUMAR-UHFFFAOYSA-N
XLogP2.68
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline (CID 175886353) is 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline is CN1CCN(CCCN2CCN(c3ccccn3)c3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline?
The InChIKey is RLAFVNOZVUUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-23-13-15-24(16-14-23)11-6-12-25-17-18-26(21-9-4-5-10-22-21)20-8-3-2-7-19(20)25/h2-5,7-10H,6,11-18H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline?
1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline has a molecular weight of 351.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline is sourced from PubChem (CID 175886353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).