5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one

C16H20N2O4 — CID 45104844

IUPAC5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCOc1cc(O)c2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
InChIInChI=1S/C16H20N2O4/c1-10-14-12(19)8-11(21-3)9-13(14)22-16(20)15(10)18-6-4-17(2)5-7-18/h8-9,19H,4-7H2,1-3H3
InChIKeyFODVAROVBASKGZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.57
Rot. Bonds2

About 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one

5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one (PubChem CID 45104844) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
PubChem CID45104844
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCOc1cc(O)c2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
InChIInChI=1S/C16H20N2O4/c1-10-14-12(19)8-11(21-3)9-13(14)22-16(20)15(10)18-6-4-17(2)5-7-18/h8-9,19H,4-7H2,1-3H3
InChIKeyFODVAROVBASKGZ-UHFFFAOYSA-N
XLogP1.57
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Oxazorone
CID 5490061
2H-1-Benzopyran-2-one, 4-methyl-7-(2-(1-piperidinyl)ethoxy)-
CID 915272
4-Methyl-5,7-bis(2-(4-morpholinyl)ethoxy)-2H-1-benzopyran-2-one
CID 65686
7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-chromen-2-one
CID 5289738
4-(5,7-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-heptylpiperazine-1-carboxamide
CID 45104524
5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
CID 45104633
3-(4-Ethylpiperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
CID 45104634
7-Hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
CID 45104750
5,7-Dimethoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
CID 45104845
4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-morpholinoethoxy)-2H-chromen-2-one
CID 45104944
4-Methyl-3-(4-methylpiperazin-1-yl)-7-(2-(piperidin-1-yl)ethoxy)-2H-chromen-2-one
CID 45104945
7-hydroxy-5-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
CID 72375487

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one (CID 45104844) is 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one is COc1cc(O)c2c(C)c(N3CCN(C)CC3)c(=O)oc2c1.
What is the InChIKey of 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The InChIKey is FODVAROVBASKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10-14-12(19)8-11(21-3)9-13(14)22-16(20)15(10)18-6-4-17(2)5-7-18/h8-9,19H,4-7H2,1-3H3.
What are the key properties of 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one has a molecular weight of 304.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 45104844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).