2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one

C22H24N2O3 — CID 71765241

IUPAC2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(N4CCN[C@H](C)C4)ccc3o2)cc1C
InChIInChI=1S/C22H24N2O3/c1-14-10-16(4-6-20(14)26-3)22-12-19(25)18-11-17(5-7-21(18)27-22)24-9-8-23-15(2)13-24/h4-7,10-12,15,23H,8-9,13H2,1-3H3/t15-/m1/s1
InChIKeyXEUHNCHCVSBIBU-OAHLLOKOSA-N
MW364.45 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one

2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one (PubChem CID 71765241) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one
PubChem CID71765241
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(N4CCN[C@H](C)C4)ccc3o2)cc1C
InChIInChI=1S/C22H24N2O3/c1-14-10-16(4-6-20(14)26-3)22-12-19(25)18-11-17(5-7-21(18)27-22)24-9-8-23-15(2)13-24/h4-7,10-12,15,23H,8-9,13H2,1-3H3/t15-/m1/s1
InChIKeyXEUHNCHCVSBIBU-OAHLLOKOSA-N
XLogP3.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one (CID 71765241) is 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one is COc1ccc(-c2cc(=O)c3cc(N4CCN[C@H](C)C4)ccc3o2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one?
The InChIKey is XEUHNCHCVSBIBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-10-16(4-6-20(14)26-3)22-12-19(25)18-11-17(5-7-21(18)27-22)24-9-8-23-15(2)13-24/h4-7,10-12,15,23H,8-9,13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one?
2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one is sourced from PubChem (CID 71765241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).