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

C15H18N2O3 — CID 45104750

IUPAC7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCc1c(N2CCN(C)CC2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C15H18N2O3/c1-10-12-4-3-11(18)9-13(12)20-15(19)14(10)17-7-5-16(2)6-8-17/h3-4,9,18H,5-8H2,1-2H3
InChIKeyIFTYXVDLCZLOKG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.56
Rot. Bonds1

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

7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one (PubChem CID 45104750) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
PubChem CID45104750
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCc1c(N2CCN(C)CC2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C15H18N2O3/c1-10-12-4-3-11(18)9-13(12)20-15(19)14(10)17-7-5-16(2)6-8-17/h3-4,9,18H,5-8H2,1-2H3
InChIKeyIFTYXVDLCZLOKG-UHFFFAOYSA-N
XLogP1.56
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one (CID 45104750) is 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one is Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The InChIKey is IFTYXVDLCZLOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-12-4-3-11(18)9-13(12)20-15(19)14(10)17-7-5-16(2)6-8-17/h3-4,9,18H,5-8H2,1-2H3.
What are the key properties of 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 45104750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).