8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one

C23H24N2O5 — CID 29126866

IUPAC8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)c(=O)oc12
InChIInChI=1S/C23H24N2O5/c1-24-10-12-25(13-11-24)21(26)15-29-18-8-6-16(7-9-18)19-14-17-4-3-5-20(28-2)22(17)30-23(19)27/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDGTYKMNRODHPLM-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.62
Rot. Bonds5

About 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one

8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one (PubChem CID 29126866) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
PubChem CID29126866
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)c(=O)oc12
InChIInChI=1S/C23H24N2O5/c1-24-10-12-25(13-11-24)21(26)15-29-18-8-6-16(7-9-18)19-14-17-4-3-5-20(28-2)22(17)30-23(19)27/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDGTYKMNRODHPLM-UHFFFAOYSA-N
XLogP2.62
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
CID 42570146
N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42648681
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42507195
8-methoxy-3-phenylchromen-2-one
CID 2195449
1-[2-[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]acetyl]piperidin-4-one
CID 42534542
5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 163355414
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 25238363
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 108533983
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 1409416

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one?
The IUPAC name of 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one (CID 29126866) is 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one.
What is the SMILES notation for 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one?
The canonical SMILES for 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one is COc1cccc2cc(-c3ccc(OCC(=O)N4CCN(C)CC4)cc3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one?
The InChIKey is DGTYKMNRODHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-24-10-12-25(13-11-24)21(26)15-29-18-8-6-16(7-9-18)19-14-17-4-3-5-20(28-2)22(17)30-23(19)27/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one?
8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one has a molecular weight of 408.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one is sourced from PubChem (CID 29126866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).