8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C19H23N3O4 — CID 155476111

IUPAC8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1cc2c3c(c(=O)oc2c(/C=N/N2CCCC2)c1O)CN(C)CC3
InChIInChI=1S/C19H23N3O4/c1-21-8-5-12-13-9-16(25-2)17(23)14(10-20-22-6-3-4-7-22)18(13)26-19(24)15(12)11-21/h9-10,23H,3-8,11H2,1-2H3/b20-10+
InChIKeyZYMKCHKODGCCII-KEBDBYFISA-N
MW357.41 g/mol
LogP1.92
Rot. Bonds3

About 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 155476111) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID155476111
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1cc2c3c(c(=O)oc2c(/C=N/N2CCCC2)c1O)CN(C)CC3
InChIInChI=1S/C19H23N3O4/c1-21-8-5-12-13-9-16(25-2)17(23)14(10-20-22-6-3-4-7-22)18(13)26-19(24)15(12)11-21/h9-10,23H,3-8,11H2,1-2H3/b20-10+
InChIKeyZYMKCHKODGCCII-KEBDBYFISA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 155476111) is 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1cc2c3c(c(=O)oc2c(/C=N/N2CCCC2)c1O)CN(C)CC3.
What is the InChIKey of 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is ZYMKCHKODGCCII-KEBDBYFISA-N. The full InChI is InChI=1S/C19H23N3O4/c1-21-8-5-12-13-9-16(25-2)17(23)14(10-20-22-6-3-4-7-22)18(13)26-19(24)15(12)11-21/h9-10,23H,3-8,11H2,1-2H3/b20-10+.
What are the key properties of 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 357.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-methoxy-3-methyl-7-[(E)-pyrrolidin-1-yliminomethyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 155476111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).