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

C20H17NO4 — CID 10520781

IUPAC3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccccc1)CC3
InChIInChI=1S/C20H17NO4/c1-24-14-7-8-16-15-9-10-21(19(22)13-5-3-2-4-6-13)12-17(15)20(23)25-18(16)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyVSCRZNIBZBVOJE-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.00
Rot. Bonds2

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

3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 10520781) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID10520781
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccccc1)CC3
InChIInChI=1S/C20H17NO4/c1-24-14-7-8-16-15-9-10-21(19(22)13-5-3-2-4-6-13)12-17(15)20(23)25-18(16)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyVSCRZNIBZBVOJE-UHFFFAOYSA-N
XLogP3.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.00
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 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 10520781) is 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccccc1)CC3.
What is the InChIKey of 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is VSCRZNIBZBVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-14-7-8-16-15-9-10-21(19(22)13-5-3-2-4-6-13)12-17(15)20(23)25-18(16)11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 335.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-8-methoxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 10520781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).