6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one

C23H18N2O4 — CID 155813745

IUPAC6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one
SMILESCOc1ccc2oc(=O)cc(COc3ccc(/N=C/c4ccccn4)cc3)c2c1
InChIInChI=1S/C23H18N2O4/c1-27-20-9-10-22-21(13-20)16(12-23(26)29-22)15-28-19-7-5-17(6-8-19)25-14-18-4-2-3-11-24-18/h2-14H,15H2,1H3/b25-14+
InChIKeyLDKGCXNURZAMDL-AFUMVMLFSA-N
MW386.41 g/mol
LogP4.53
Rot. Bonds6

About 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one

6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one (PubChem CID 155813745) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one
PubChem CID155813745
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one
SMILESCOc1ccc2oc(=O)cc(COc3ccc(/N=C/c4ccccn4)cc3)c2c1
InChIInChI=1S/C23H18N2O4/c1-27-20-9-10-22-21(13-20)16(12-23(26)29-22)15-28-19-7-5-17(6-8-19)25-14-18-4-2-3-11-24-18/h2-14H,15H2,1H3/b25-14+
InChIKeyLDKGCXNURZAMDL-AFUMVMLFSA-N
XLogP4.53
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one?
The IUPAC name of 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one (CID 155813745) is 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one.
What is the SMILES notation for 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one?
The canonical SMILES for 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one is COc1ccc2oc(=O)cc(COc3ccc(/N=C/c4ccccn4)cc3)c2c1.
What is the InChIKey of 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one?
The InChIKey is LDKGCXNURZAMDL-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-27-20-9-10-22-21(13-20)16(12-23(26)29-22)15-28-19-7-5-17(6-8-19)25-14-18-4-2-3-11-24-18/h2-14H,15H2,1H3/b25-14+.
What are the key properties of 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one?
6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one has a molecular weight of 386.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one is sourced from PubChem (CID 155813745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).