8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine

C20H22N2O2 — CID 10358767

IUPAC8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine
SMILESCOc1ccc2c(c1)OCc1cccnc1C2=C1CCN(C)CC1
InChIInChI=1S/C20H22N2O2/c1-22-10-7-14(8-11-22)19-17-6-5-16(23-2)12-18(17)24-13-15-4-3-9-21-20(15)19/h3-6,9,12H,7-8,10-11,13H2,1-2H3
InChIKeyQVICWCQDDRHZAL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.51
Rot. Bonds1

About 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine

8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine (PubChem CID 10358767) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine.

Molecular Properties

Compound Name8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine
PubChem CID10358767
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine
SMILESCOc1ccc2c(c1)OCc1cccnc1C2=C1CCN(C)CC1
InChIInChI=1S/C20H22N2O2/c1-22-10-7-14(8-11-22)19-17-6-5-16(23-2)12-18(17)24-13-15-4-3-9-21-20(15)19/h3-6,9,12H,7-8,10-11,13H2,1-2H3
InChIKeyQVICWCQDDRHZAL-UHFFFAOYSA-N
XLogP3.51
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine?
The IUPAC name of 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine (CID 10358767) is 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine.
What is the SMILES notation for 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine?
The canonical SMILES for 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine is COc1ccc2c(c1)OCc1cccnc1C2=C1CCN(C)CC1.
What is the InChIKey of 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine?
The InChIKey is QVICWCQDDRHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22-10-7-14(8-11-22)19-17-6-5-16(23-2)12-18(17)24-13-15-4-3-9-21-20(15)19/h3-6,9,12H,7-8,10-11,13H2,1-2H3.
What are the key properties of 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine?
8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine has a molecular weight of 322.41 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine is sourced from PubChem (CID 10358767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).