5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one

C16H20N2O4 — CID 12730612

IUPAC5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
SMILESCOc1ccc(OC)c2c(=O)cc(N3CCN(C)CC3)oc12
InChIInChI=1S/C16H20N2O4/c1-17-6-8-18(9-7-17)14-10-11(19)15-12(20-2)4-5-13(21-3)16(15)22-14/h4-5,10H,6-9H2,1-3H3
InChIKeyQARKYDWRGJBWJL-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.56
Rot. Bonds3

About 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one

5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one (PubChem CID 12730612) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one.

Molecular Properties

Compound Name5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
PubChem CID12730612
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one
SMILESCOc1ccc(OC)c2c(=O)cc(N3CCN(C)CC3)oc12
InChIInChI=1S/C16H20N2O4/c1-17-6-8-18(9-7-17)14-10-11(19)15-12(20-2)4-5-13(21-3)16(15)22-14/h4-5,10H,6-9H2,1-3H3
InChIKeyQARKYDWRGJBWJL-UHFFFAOYSA-N
XLogP1.56
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-dimethoxy-2-methylsulfanylchromen-4-one
CID 134910868
5,8-dimethoxy-4-oxochromene-2-carboxylate
CID 6928203
6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one
CID 135052964
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
5,7-dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one
CID 127042921
2-(4-methylpiperazin-1-yl)-8-(2-methylpyrazol-3-yl)pyrano[2,3-c]pyridin-4-one
CID 134810366
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(4-chloro-7-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine
CID 57143779
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one
CID 59335353
7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one
CID 135052987
4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 127042305

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one?
The IUPAC name of 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one (CID 12730612) is 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one.
What is the SMILES notation for 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one?
The canonical SMILES for 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one is COc1ccc(OC)c2c(=O)cc(N3CCN(C)CC3)oc12.
What is the InChIKey of 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one?
The InChIKey is QARKYDWRGJBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-17-6-8-18(9-7-17)14-10-11(19)15-12(20-2)4-5-13(21-3)16(15)22-14/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one?
5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one has a molecular weight of 304.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-(4-methylpiperazin-1-yl)chromen-4-one is sourced from PubChem (CID 12730612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).