6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one

C18H18N2O3 — CID 121389340

IUPAC6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(-c3cncc4c3COCC4O)ccc2C1=O
InChIInChI=1S/C18H18N2O3/c1-20-5-4-12-6-11(2-3-13(12)18(20)22)14-7-19-8-15-16(14)9-23-10-17(15)21/h2-3,6-8,17,21H,4-5,9-10H2,1H3
InChIKeyBYFOGFUDBMRTCX-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.94
Rot. Bonds1

About 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one

6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 121389340) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID121389340
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(-c3cncc4c3COCC4O)ccc2C1=O
InChIInChI=1S/C18H18N2O3/c1-20-5-4-12-6-11(2-3-13(12)18(20)22)14-7-19-8-15-16(14)9-23-10-17(15)21/h2-3,6-8,17,21H,4-5,9-10H2,1H3
InChIKeyBYFOGFUDBMRTCX-UHFFFAOYSA-N
XLogP1.94
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one (CID 121389340) is 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2cc(-c3cncc4c3COCC4O)ccc2C1=O.
What is the InChIKey of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is BYFOGFUDBMRTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-5-4-12-6-11(2-3-13(12)18(20)22)14-7-19-8-15-16(14)9-23-10-17(15)21/h2-3,6-8,17,21H,4-5,9-10H2,1H3.
What are the key properties of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one?
6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 310.35 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 121389340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).