6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline

C20H19N3O — CID 10335971

IUPAC6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1
InChIInChI=1S/C20H19N3O/c1-22-10-12-23(13-11-22)20-19-18(14-6-2-4-8-16(14)21-20)15-7-3-5-9-17(15)24-19/h2-9H,10-13H2,1H3
InChIKeyAXXBKGLWQLKREC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.89
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline

6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline (PubChem CID 10335971) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline
PubChem CID10335971
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1
InChIInChI=1S/C20H19N3O/c1-22-10-12-23(13-11-22)20-19-18(14-6-2-4-8-16(14)21-20)15-7-3-5-9-17(15)24-19/h2-9H,10-13H2,1H3
InChIKeyAXXBKGLWQLKREC-UHFFFAOYSA-N
XLogP3.89
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline (CID 10335971) is 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline is CN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
The InChIKey is AXXBKGLWQLKREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-22-10-12-23(13-11-22)20-19-18(14-6-2-4-8-16(14)21-20)15-7-3-5-9-17(15)24-19/h2-9H,10-13H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline has a molecular weight of 317.39 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 10335971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).