7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one

C18H22N4O2 — CID 141376412

IUPAC7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one
SMILESCN1CCN(c2ccc3c(c2)OC(=O)C(c2ccn(C)n2)C3)CC1
InChIInChI=1S/C18H22N4O2/c1-20-7-9-22(10-8-20)14-4-3-13-11-15(16-5-6-21(2)19-16)18(23)24-17(13)12-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyOVKVEANDXBQDLX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.42
Rot. Bonds2

About 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one

7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one (PubChem CID 141376412) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one
PubChem CID141376412
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one
SMILESCN1CCN(c2ccc3c(c2)OC(=O)C(c2ccn(C)n2)C3)CC1
InChIInChI=1S/C18H22N4O2/c1-20-7-9-22(10-8-20)14-4-3-13-11-15(16-5-6-21(2)19-16)18(23)24-17(13)12-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyOVKVEANDXBQDLX-UHFFFAOYSA-N
XLogP1.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one
CID 141376384
3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376524
3-(6-methoxy-2-pyridinyl)-7-[(3S)-3-methylpiperazin-1-yl]-3,4-dihydrochromen-2-one
CID 141376420
3-(3-fluoro-4-pyridinyl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376463
3-(4-methyl-1,3-benzoxazol-2-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one;hydrochloride
CID 141376481
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-indolizin-2-yl-3,4-dihydrochromen-2-one
CID 141376632
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
ethane;ethene;2-methyl-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole
CID 143655183
4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole
CID 141376544
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507
1-methyl-3-(1-methylazetidin-3-yl)pyrazole
CID 90070858

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one (CID 141376412) is 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one is CN1CCN(c2ccc3c(c2)OC(=O)C(c2ccn(C)n2)C3)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one?
The InChIKey is OVKVEANDXBQDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-7-9-22(10-8-20)14-4-3-13-11-15(16-5-6-21(2)19-16)18(23)24-17(13)12-14/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one?
7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141376412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).