7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one

C24H28N2O4 — CID 164861295

IUPAC7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one
SMILESCOc1c(O)ccc2c(=O)cc(-c3ccc(N(C)CCN4CCCCC4)cc3)oc12
InChIInChI=1S/C24H28N2O4/c1-25(14-15-26-12-4-3-5-13-26)18-8-6-17(7-9-18)22-16-21(28)19-10-11-20(27)24(29-2)23(19)30-22/h6-11,16,27H,3-5,12-15H2,1-2H3
InChIKeyXLUUFCWKVUHHDO-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.10
Rot. Bonds6

About 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one

7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one (PubChem CID 164861295) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one
PubChem CID164861295
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one
SMILESCOc1c(O)ccc2c(=O)cc(-c3ccc(N(C)CCN4CCCCC4)cc3)oc12
InChIInChI=1S/C24H28N2O4/c1-25(14-15-26-12-4-3-5-13-26)18-8-6-17(7-9-18)22-16-21(28)19-10-11-20(27)24(29-2)23(19)30-22/h6-11,16,27H,3-5,12-15H2,1-2H3
InChIKeyXLUUFCWKVUHHDO-UHFFFAOYSA-N
XLogP4.10
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7,8-dihydroxy-2-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]phenyl]chromen-4-one
CID 164861250
2-[4-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]butyl-methylamino]phenyl]-7-hydroxy-8-methoxychromen-4-one
CID 171546153
7-hydroxy-8-methoxy-2-(1-methylpyrazol-4-yl)chromen-4-one
CID 178046062
2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
CID 66521679
8-methoxy-2-[4-[methyl-[methyl(3-piperidin-1-ylpropyl)amino]amino]phenyl]-5,7-bis(phenylmethoxy)chromen-4-one
CID 164861365
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
7,8-dihydroxy-2-[4-[3-[[8-methoxy-4-oxo-2-(4-piperidin-1-ylphenyl)chromen-7-yl]oxymethyl]piperidin-1-yl]phenyl]chromen-4-one
CID 146335227
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
3,7-dihydroxy-8-methoxy-2-[4-[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]butyl]phenyl]chromen-4-one
CID 164861216
2-[4-[4-(3-aminopropylamino)butyl-methylamino]phenyl]-3,7-dihydroxy-8-methoxychromen-4-one
CID 164861345
2-[4-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]butyl-methylamino]phenyl]-3,7-dihydroxy-8-methoxychromen-4-one
CID 164861320
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
CID 146347086

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one?
The IUPAC name of 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one (CID 164861295) is 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one is COc1c(O)ccc2c(=O)cc(-c3ccc(N(C)CCN4CCCCC4)cc3)oc12.
What is the InChIKey of 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one?
The InChIKey is XLUUFCWKVUHHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-25(14-15-26-12-4-3-5-13-26)18-8-6-17(7-9-18)22-16-21(28)19-10-11-20(27)24(29-2)23(19)30-22/h6-11,16,27H,3-5,12-15H2,1-2H3.
What are the key properties of 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one?
7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one has a molecular weight of 408.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methoxy-2-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]chromen-4-one is sourced from PubChem (CID 164861295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).