2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one

C46H44N2O10 — CID 71455310

IUPAC2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3ccccc3o2)ccc1OCCOCCN(CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC)Cc1ccncc1
InChIInChI=1S/C46H44N2O10/c1-51-45-27-33(43-29-37(49)35-7-3-5-9-39(35)57-43)11-13-41(45)55-25-23-53-21-19-48(31-32-15-17-47-18-16-32)20-22-54-24-26-56-42-14-12-34(28-46(42)52-2)44-30-38(50)36-8-4-6-10-40(36)58-44/h3-18,27-30H,19-26,31H2,1-2H3
InChIKeyRNCMOEGZUISTPP-UHFFFAOYSA-N
MW784.86 g/mol
LogP7.64
Rot. Bonds20

About 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one

2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one (PubChem CID 71455310) has the molecular formula C46H44N2O10 and a molecular weight of 784.86 g/mol. Its IUPAC name is 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one
PubChem CID71455310
Molecular FormulaC46H44N2O10
Molecular Weight784.86 g/mol
Exact Mass784.30
IUPAC Name2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3ccccc3o2)ccc1OCCOCCN(CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC)Cc1ccncc1
InChIInChI=1S/C46H44N2O10/c1-51-45-27-33(43-29-37(49)35-7-3-5-9-39(35)57-43)11-13-41(45)55-25-23-53-21-19-48(31-32-15-17-47-18-16-32)20-22-54-24-26-56-42-14-12-34(28-46(42)52-2)44-30-38(50)36-8-4-6-10-40(36)58-44/h3-18,27-30H,19-26,31H2,1-2H3
InChIKeyRNCMOEGZUISTPP-UHFFFAOYSA-N
XLogP7.64
TPSA131.93 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500784.86
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one?
The IUPAC name of 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one (CID 71455310) is 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one.
What is the SMILES notation for 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one?
The canonical SMILES for 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one is COc1cc(-c2cc(=O)c3ccccc3o2)ccc1OCCOCCN(CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC)Cc1ccncc1.
What is the InChIKey of 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one?
The InChIKey is RNCMOEGZUISTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N2O10/c1-51-45-27-33(43-29-37(49)35-7-3-5-9-39(35)57-43)11-13-41(45)55-25-23-53-21-19-48(31-32-15-17-47-18-16-32)20-22-54-24-26-56-42-14-12-34(28-46(42)52-2)44-30-38(50)36-8-4-6-10-40(36)58-44/h3-18,27-30H,19-26,31H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one?
2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one has a molecular weight of 784.86 g/mol, XLogP of 7.64, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one is sourced from PubChem (CID 71455310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).