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

C21H21N3O — CID 10336817

IUPAC6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1
InChIInChI=1S/C21H21N3O/c1-2-23-11-13-24(14-12-23)21-20-19(15-7-3-5-9-17(15)22-21)16-8-4-6-10-18(16)25-20/h3-10H,2,11-14H2,1H3
InChIKeyZLZCBCAPHFZRQJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.28
Rot. Bonds2

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

6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline (PubChem CID 10336817) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline
PubChem CID10336817
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline
SMILESCCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1
InChIInChI=1S/C21H21N3O/c1-2-23-11-13-24(14-12-23)21-20-19(15-7-3-5-9-17(15)22-21)16-8-4-6-10-18(16)25-20/h3-10H,2,11-14H2,1H3
InChIKeyZLZCBCAPHFZRQJ-UHFFFAOYSA-N
XLogP4.28
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline (CID 10336817) is 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline is CCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
The InChIKey is ZLZCBCAPHFZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-23-11-13-24(14-12-23)21-20-19(15-7-3-5-9-17(15)22-21)16-8-4-6-10-18(16)25-20/h3-10H,2,11-14H2,1H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline?
6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline has a molecular weight of 331.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 10336817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).