8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one

C21H20N2O3 — CID 162659883

IUPAC8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one
SMILESO=c1[nH]c2ccccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12
InChIInChI=1S/C21H20N2O3/c24-16-8-9-17-18(14(16)12-23-10-4-1-5-11-23)19-20(26-17)13-6-2-3-7-15(13)22-21(19)25/h2-3,6-9,24H,1,4-5,10-12H2,(H,22,25)
InChIKeyNANHAHCRKZYZOW-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.12
Rot. Bonds2

About 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one

8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one (PubChem CID 162659883) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one
PubChem CID162659883
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one
SMILESO=c1[nH]c2ccccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12
InChIInChI=1S/C21H20N2O3/c24-16-8-9-17-18(14(16)12-23-10-4-1-5-11-23)19-20(26-17)13-6-2-3-7-15(13)22-21(19)25/h2-3,6-9,24H,1,4-5,10-12H2,(H,22,25)
InChIKeyNANHAHCRKZYZOW-UHFFFAOYSA-N
XLogP4.12
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The IUPAC name of 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one (CID 162659883) is 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one.
What is the SMILES notation for 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The canonical SMILES for 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one is O=c1[nH]c2ccccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12.
What is the InChIKey of 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The InChIKey is NANHAHCRKZYZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-16-8-9-17-18(14(16)12-23-10-4-1-5-11-23)19-20(26-17)13-6-2-3-7-15(13)22-21(19)25/h2-3,6-9,24H,1,4-5,10-12H2,(H,22,25).
What are the key properties of 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one has a molecular weight of 348.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one is sourced from PubChem (CID 162659883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).