5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one

C15H18N2O4 — CID 45104633

IUPAC5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H18N2O4/c1-9-13-11(19)7-10(18)8-12(13)21-15(20)14(9)17-5-3-16(2)4-6-17/h7-8,18-19H,3-6H2,1-2H3
InChIKeyWTGPVPWURYYDMO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds1

About 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one

5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one (PubChem CID 45104633) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
PubChem CID45104633
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H18N2O4/c1-9-13-11(19)7-10(18)8-12(13)21-15(20)14(9)17-5-3-16(2)4-6-17/h7-8,18-19H,3-6H2,1-2H3
InChIKeyWTGPVPWURYYDMO-UHFFFAOYSA-N
XLogP1.26
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one (CID 45104633) is 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one is Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
The InChIKey is WTGPVPWURYYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-13-11(19)7-10(18)8-12(13)21-15(20)14(9)17-5-3-16(2)4-6-17/h7-8,18-19H,3-6H2,1-2H3.
What are the key properties of 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one?
5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one has a molecular weight of 290.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 45104633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).