7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one

C23H26N2O5 — CID 5389856

IUPAC7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
InChIInChI=1S/C23H26N2O5/c1-29-21-5-3-2-4-16(21)19-15-30-23-17(22(19)28)6-7-20(27)18(23)14-25-10-8-24(9-11-25)12-13-26/h2-7,15,26-27H,8-14H2,1H3
InChIKeyKFDADJUHSLOUJC-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.28
Rot. Bonds6

About 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one

7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one (PubChem CID 5389856) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one
PubChem CID5389856
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
InChIInChI=1S/C23H26N2O5/c1-29-21-5-3-2-4-16(21)19-15-30-23-17(22(19)28)6-7-20(27)18(23)14-25-10-8-24(9-11-25)12-13-26/h2-7,15,26-27H,8-14H2,1H3
InChIKeyKFDADJUHSLOUJC-UHFFFAOYSA-N
XLogP2.28
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
CID 5439005
7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one
CID 122685038
8-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
CID 5449000
7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 6052176
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
CID 126476287
8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 5451602
cyclohexyl-[[7-hydroxy-3-(2-methoxyphenyl)-4-oxochromen-8-yl]methyl]-methylazanium
CID 6244446
7-hydroxy-3-(2-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one
CID 6964648
7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one
CID 5322217
3-(4-chlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
CID 6043793
8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one
CID 5448691
3-(2-bromophenoxy)-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-4-one
CID 95399499

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one (CID 5389856) is 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one is COc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one?
The InChIKey is KFDADJUHSLOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-29-21-5-3-2-4-16(21)19-15-30-23-17(22(19)28)6-7-20(27)18(23)14-25-10-8-24(9-11-25)12-13-26/h2-7,15,26-27H,8-14H2,1H3.
What are the key properties of 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one?
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one has a molecular weight of 410.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5389856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).