1-isoquinolin-1-ylnaphthalen-2-ol

C19H13NO — CID 135454774

IUPAC1-isoquinolin-1-ylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C19H13NO/c21-17-10-9-13-5-1-3-7-15(13)18(17)19-16-8-4-2-6-14(16)11-12-20-19/h1-12,21H
InChIKeyWWKZQKSNLXQCQU-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.76
Rot. Bonds1

About 1-isoquinolin-1-ylnaphthalen-2-ol

1-isoquinolin-1-ylnaphthalen-2-ol (PubChem CID 135454774) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-isoquinolin-1-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-isoquinolin-1-ylnaphthalen-2-ol
PubChem CID135454774
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name1-isoquinolin-1-ylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C19H13NO/c21-17-10-9-13-5-1-3-7-15(13)18(17)19-16-8-4-2-6-14(16)11-12-20-19/h1-12,21H
InChIKeyWWKZQKSNLXQCQU-UHFFFAOYSA-N
XLogP4.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-ylnaphthalen-2-ol?
The IUPAC name of 1-isoquinolin-1-ylnaphthalen-2-ol (CID 135454774) is 1-isoquinolin-1-ylnaphthalen-2-ol.
What is the SMILES notation for 1-isoquinolin-1-ylnaphthalen-2-ol?
The canonical SMILES for 1-isoquinolin-1-ylnaphthalen-2-ol is Oc1ccc2ccccc2c1-c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-ylnaphthalen-2-ol?
The InChIKey is WWKZQKSNLXQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c21-17-10-9-13-5-1-3-7-15(13)18(17)19-16-8-4-2-6-14(16)11-12-20-19/h1-12,21H.
What are the key properties of 1-isoquinolin-1-ylnaphthalen-2-ol?
1-isoquinolin-1-ylnaphthalen-2-ol has a molecular weight of 271.32 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-ylnaphthalen-2-ol is sourced from PubChem (CID 135454774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).