5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one

C22H19NO4 — CID 1426439

IUPAC5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one
SMILESCN(Cc1ccccc1)Cc1c(O)ccc2oc(-c3ccco3)cc(=O)c12
InChIInChI=1S/C22H19NO4/c1-23(13-15-6-3-2-4-7-15)14-16-17(24)9-10-20-22(16)18(25)12-21(27-20)19-8-5-11-26-19/h2-12,24H,13-14H2,1H3
InChIKeyKXWMQSOQPUQDRO-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.39
Rot. Bonds5

About 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one

5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one (PubChem CID 1426439) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one
PubChem CID1426439
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one
SMILESCN(Cc1ccccc1)Cc1c(O)ccc2oc(-c3ccco3)cc(=O)c12
InChIInChI=1S/C22H19NO4/c1-23(13-15-6-3-2-4-7-15)14-16-17(24)9-10-20-22(16)18(25)12-21(27-20)19-8-5-11-26-19/h2-12,24H,13-14H2,1H3
InChIKeyKXWMQSOQPUQDRO-UHFFFAOYSA-N
XLogP4.39
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one (CID 1426439) is 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one is CN(Cc1ccccc1)Cc1c(O)ccc2oc(-c3ccco3)cc(=O)c12.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one?
The InChIKey is KXWMQSOQPUQDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-23(13-15-6-3-2-4-7-15)14-16-17(24)9-10-20-22(16)18(25)12-21(27-20)19-8-5-11-26-19/h2-12,24H,13-14H2,1H3.
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one?
5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one has a molecular weight of 361.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-2-(furan-2-yl)-6-hydroxychromen-4-one is sourced from PubChem (CID 1426439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).