8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C17H14N2O2 — CID 121389373

IUPAC8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4cnccc4c3)cncc21
InChIInChI=1S/C17H14N2O2/c20-17-10-21-9-16-14(7-19-8-15(16)17)12-1-2-13-6-18-4-3-11(13)5-12/h1-8,17,20H,9-10H2
InChIKeyKZSYLXXMLKMQJM-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.86
Rot. Bonds1

About 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389373) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389373
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESOC1COCc2c(-c3ccc4cnccc4c3)cncc21
InChIInChI=1S/C17H14N2O2/c20-17-10-21-9-16-14(7-19-8-15(16)17)12-1-2-13-6-18-4-3-11(13)5-12/h1-8,17,20H,9-10H2
InChIKeyKZSYLXXMLKMQJM-UHFFFAOYSA-N
XLogP2.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389373) is 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is OC1COCc2c(-c3ccc4cnccc4c3)cncc21.
What is the InChIKey of 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is KZSYLXXMLKMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17-10-21-9-16-14(7-19-8-15(16)17)12-1-2-13-6-18-4-3-11(13)5-12/h1-8,17,20H,9-10H2.
What are the key properties of 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 278.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).