3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C20H19NO3 — CID 5493357

IUPAC3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCc1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3
InChIInChI=1S/C20H19NO3/c1-13-9-17(22)19-15-7-8-21(11-14-5-3-2-4-6-14)12-16(15)20(23)24-18(19)10-13/h2-6,9-10,22H,7-8,11-12H2,1H3
InChIKeyZGJQCYQHRMZBNX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.37
Rot. Bonds2

About 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 5493357) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID5493357
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCc1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3
InChIInChI=1S/C20H19NO3/c1-13-9-17(22)19-15-7-8-21(11-14-5-3-2-4-6-14)12-16(15)20(23)24-18(19)10-13/h2-6,9-10,22H,7-8,11-12H2,1H3
InChIKeyZGJQCYQHRMZBNX-UHFFFAOYSA-N
XLogP3.37
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
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-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 5493357) is 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is Cc1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3.
What is the InChIKey of 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is ZGJQCYQHRMZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-9-17(22)19-15-7-8-21(11-14-5-3-2-4-6-14)12-16(15)20(23)24-18(19)10-13/h2-6,9-10,22H,7-8,11-12H2,1H3.
What are the key properties of 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 321.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 5493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).