6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine

C20H26N4 — CID 22335156

IUPAC6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCN1CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1
InChIInChI=1S/C20H26N4/c1-22-11-13-24(14-12-22)20-8-7-18-16-23(10-9-19(18)21-20)15-17-5-3-2-4-6-17/h2-8H,9-16H2,1H3
InChIKeyBTZBDMWWIZEVFB-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.39
Rot. Bonds3

About 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine

6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 22335156) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID22335156
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCN1CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1
InChIInChI=1S/C20H26N4/c1-22-11-13-24(14-12-22)20-8-7-18-16-23(10-9-19(18)21-20)15-17-5-3-2-4-6-17/h2-8H,9-16H2,1H3
InChIKeyBTZBDMWWIZEVFB-UHFFFAOYSA-N
XLogP2.39
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine (CID 22335156) is 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine is CN1CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)CC1.
What is the InChIKey of 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is BTZBDMWWIZEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-22-11-13-24(14-12-22)20-8-7-18-16-23(10-9-19(18)21-20)15-17-5-3-2-4-6-17/h2-8H,9-16H2,1H3.
What are the key properties of 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine?
6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 322.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 22335156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).