8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one

C22H23NO3 — CID 70694859

IUPAC8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C22H23NO3/c1-15-20(25-18-10-12-23(2)13-11-18)9-8-17-14-19(22(24)26-21(15)17)16-6-4-3-5-7-16/h3-9,14,18H,10-13H2,1-2H3
InChIKeyYPQXELFOWHLYLX-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.24
Rot. Bonds3

About 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one

8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one (PubChem CID 70694859) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one
PubChem CID70694859
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C22H23NO3/c1-15-20(25-18-10-12-23(2)13-11-18)9-8-17-14-19(22(24)26-21(15)17)16-6-4-3-5-7-16/h3-9,14,18H,10-13H2,1-2H3
InChIKeyYPQXELFOWHLYLX-UHFFFAOYSA-N
XLogP4.24
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one?
The IUPAC name of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one (CID 70694859) is 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one.
What is the SMILES notation for 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one?
The canonical SMILES for 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one is Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccccc3)c(=O)oc12.
What is the InChIKey of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one?
The InChIKey is YPQXELFOWHLYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15-20(25-18-10-12-23(2)13-11-18)9-8-17-14-19(22(24)26-21(15)17)16-6-4-3-5-7-16/h3-9,14,18H,10-13H2,1-2H3.
What are the key properties of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one?
8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one has a molecular weight of 349.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenylchromen-2-one is sourced from PubChem (CID 70694859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).