7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one

C30H34N4O3 — CID 118734725

IUPAC7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1
InChIInChI=1S/C30H34N4O3/c35-29-12-10-22-9-11-23(21-28(22)37-29)36-20-19-34-17-15-33(16-18-34)14-13-31-30-24-5-1-3-7-26(24)32-27-8-4-2-6-25(27)30/h1,3,5,7,9-12,21H,2,4,6,8,13-20H2,(H,31,32)
InChIKeyUAPFPZISLYDWMP-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.33
Rot. Bonds8

About 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one

7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one (PubChem CID 118734725) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one
PubChem CID118734725
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1
InChIInChI=1S/C30H34N4O3/c35-29-12-10-22-9-11-23(21-28(22)37-29)36-20-19-34-17-15-33(16-18-34)14-13-31-30-24-5-1-3-7-26(24)32-27-8-4-2-6-25(27)30/h1,3,5,7,9-12,21H,2,4,6,8,13-20H2,(H,31,32)
InChIKeyUAPFPZISLYDWMP-UHFFFAOYSA-N
XLogP4.33
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one?
The IUPAC name of 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one (CID 118734725) is 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one is O=c1ccc2ccc(OCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1.
What is the InChIKey of 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one?
The InChIKey is UAPFPZISLYDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c35-29-12-10-22-9-11-23(21-28(22)37-29)36-20-19-34-17-15-33(16-18-34)14-13-31-30-24-5-1-3-7-26(24)32-27-8-4-2-6-25(27)30/h1,3,5,7,9-12,21H,2,4,6,8,13-20H2,(H,31,32).
What are the key properties of 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one?
7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one has a molecular weight of 498.63 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one is sourced from PubChem (CID 118734725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).