4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one

C20H17NO5 — CID 8841578

IUPAC4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one
SMILESO=c1cc(CN(Cc2ccco2)Cc2ccco2)c2ccc(O)cc2o1
InChIInChI=1S/C20H17NO5/c22-15-5-6-18-14(9-20(23)26-19(18)10-15)11-21(12-16-3-1-7-24-16)13-17-4-2-8-25-17/h1-10,22H,11-13H2
InChIKeyXNHIJDCKCABFDU-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.89
Rot. Bonds6

About 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one

4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one (PubChem CID 8841578) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one
PubChem CID8841578
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one
SMILESO=c1cc(CN(Cc2ccco2)Cc2ccco2)c2ccc(O)cc2o1
InChIInChI=1S/C20H17NO5/c22-15-5-6-18-14(9-20(23)26-19(18)10-15)11-21(12-16-3-1-7-24-16)13-17-4-2-8-25-17/h1-10,22H,11-13H2
InChIKeyXNHIJDCKCABFDU-UHFFFAOYSA-N
XLogP3.89
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one?
The IUPAC name of 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one (CID 8841578) is 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one?
The canonical SMILES for 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one is O=c1cc(CN(Cc2ccco2)Cc2ccco2)c2ccc(O)cc2o1.
What is the InChIKey of 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one?
The InChIKey is XNHIJDCKCABFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c22-15-5-6-18-14(9-20(23)26-19(18)10-15)11-21(12-16-3-1-7-24-16)13-17-4-2-8-25-17/h1-10,22H,11-13H2.
What are the key properties of 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one?
4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one has a molecular weight of 351.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 8841578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).