6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline

C19H17N3O — CID 10063561

IUPAC6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc2c(c1)nc(N1CCNCC1)c1oc3ccccc3c12
InChIInChI=1S/C19H17N3O/c1-3-7-15-13(5-1)17-14-6-2-4-8-16(14)23-18(17)19(21-15)22-11-9-20-10-12-22/h1-8,20H,9-12H2
InChIKeyQHAKQBRGFNJPJC-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.54
Rot. Bonds1

About 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline

6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline (PubChem CID 10063561) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline
PubChem CID10063561
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc2c(c1)nc(N1CCNCC1)c1oc3ccccc3c12
InChIInChI=1S/C19H17N3O/c1-3-7-15-13(5-1)17-14-6-2-4-8-16(14)23-18(17)19(21-15)22-11-9-20-10-12-22/h1-8,20H,9-12H2
InChIKeyQHAKQBRGFNJPJC-UHFFFAOYSA-N
XLogP3.54
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline (CID 10063561) is 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline is c1ccc2c(c1)nc(N1CCNCC1)c1oc3ccccc3c12.
What is the InChIKey of 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is QHAKQBRGFNJPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-3-7-15-13(5-1)17-14-6-2-4-8-16(14)23-18(17)19(21-15)22-11-9-20-10-12-22/h1-8,20H,9-12H2.
What are the key properties of 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline?
6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 303.37 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 10063561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).