7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one

C19H26N2O4 — CID 4624615

IUPAC7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
SMILESCCN1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C19H26N2O4/c1-3-20-6-8-21(9-7-20)12-15(22)13-24-16-4-5-17-14(2)10-19(23)25-18(17)11-16/h4-5,10-11,15,22H,3,6-9,12-13H2,1-2H3
InChIKeyCLDQJIAOGPECPO-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.48
Rot. Bonds6

About 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one

7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one (PubChem CID 4624615) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
PubChem CID4624615
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
SMILESCCN1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C19H26N2O4/c1-3-20-6-8-21(9-7-20)12-15(22)13-24-16-4-5-17-14(2)10-19(23)25-18(17)11-16/h4-5,10-11,15,22H,3,6-9,12-13H2,1-2H3
InChIKeyCLDQJIAOGPECPO-UHFFFAOYSA-N
XLogP1.48
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.48
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

7-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 25409816
7-[(2R)-3-[(2S)-2-ethylpiperidin-1-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 42335950
7-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methylchromen-2-one
CID 6991902
7-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy)-4-methylchromen-2-one
CID 4134889
1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882798
7-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]-4-methylchromen-2-one
CID 7421263
7-[3-(2,6-dimethylmorpholin-4-ium-4-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 4107191
7-[(2S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 7223064
7-[(2S)-2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 29133288
3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-2-methylchromen-4-one
CID 2356361
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-[2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]-4-methylchromen-2-one
CID 109413306

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one (CID 4624615) is 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one is CCN1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1.
What is the InChIKey of 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one?
The InChIKey is CLDQJIAOGPECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-20-6-8-21(9-7-20)12-15(22)13-24-16-4-5-17-14(2)10-19(23)25-18(17)11-16/h4-5,10-11,15,22H,3,6-9,12-13H2,1-2H3.
What are the key properties of 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one?
7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one is sourced from PubChem (CID 4624615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).