8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C21H21NO3 — CID 10568805

IUPAC8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(CCc1ccccc1)CC3
InChIInChI=1S/C21H21NO3/c1-24-16-7-8-18-17-10-12-22(11-9-15-5-3-2-4-6-15)14-19(17)21(23)25-20(18)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyIAWWLCSYFAOUES-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.40
Rot. Bonds4

About 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 10568805) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID10568805
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(CCc1ccccc1)CC3
InChIInChI=1S/C21H21NO3/c1-24-16-7-8-18-17-10-12-22(11-9-15-5-3-2-4-6-15)14-19(17)21(23)25-20(18)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyIAWWLCSYFAOUES-UHFFFAOYSA-N
XLogP3.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 10568805) is 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc2c3c(c(=O)oc2c1)CN(CCc1ccccc1)CC3.
What is the InChIKey of 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is IAWWLCSYFAOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-16-7-8-18-17-10-12-22(11-9-15-5-3-2-4-6-15)14-19(17)21(23)25-20(18)13-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 335.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(2-phenylethyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 10568805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).