4-isoquinolin-3-ylphenol;tetrahydrochloride

C15H15Cl4NO — CID 140752997

IUPAC4-isoquinolin-3-ylphenol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Oc1ccc(-c2cc3ccccc3cn2)cc1
InChIInChI=1S/C15H11NO.4ClH/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15;;;;/h1-10,17H;4*1H
InChIKeyXIOQKOSXNYYBLW-UHFFFAOYSA-N
MW367.10 g/mol
LogP5.29
Rot. Bonds1

About 4-isoquinolin-3-ylphenol;tetrahydrochloride

4-isoquinolin-3-ylphenol;tetrahydrochloride (PubChem CID 140752997) has the molecular formula C15H15Cl4NO and a molecular weight of 367.10 g/mol. Its IUPAC name is 4-isoquinolin-3-ylphenol;tetrahydrochloride.

Molecular Properties

Compound Name4-isoquinolin-3-ylphenol;tetrahydrochloride
PubChem CID140752997
Molecular FormulaC15H15Cl4NO
Molecular Weight367.10 g/mol
Exact Mass364.99
IUPAC Name4-isoquinolin-3-ylphenol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Oc1ccc(-c2cc3ccccc3cn2)cc1
InChIInChI=1S/C15H11NO.4ClH/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15;;;;/h1-10,17H;4*1H
InChIKeyXIOQKOSXNYYBLW-UHFFFAOYSA-N
XLogP5.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.10
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,6-naphthyridin-7-yl)phenol
CID 135487449
3-(4-isocyanophenyl)isoquinoline
CID 21032993
3-azulen-2-ylisoquinoline
CID 139326489
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
tris(4-isoquinolin-3-ylphenyl) benzene-1,3,5-tricarboxylate
CID 126638828
3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 118582488
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 90261775
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935
3-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 122416233
3-[4-[2,6-bis(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 122427585
5-isoquinolin-3-yl-2-propan-2-ylpyridin-3-amine
CID 168882948

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-3-ylphenol;tetrahydrochloride?
The IUPAC name of 4-isoquinolin-3-ylphenol;tetrahydrochloride (CID 140752997) is 4-isoquinolin-3-ylphenol;tetrahydrochloride.
What is the SMILES notation for 4-isoquinolin-3-ylphenol;tetrahydrochloride?
The canonical SMILES for 4-isoquinolin-3-ylphenol;tetrahydrochloride is Cl.Cl.Cl.Cl.Oc1ccc(-c2cc3ccccc3cn2)cc1.
What is the InChIKey of 4-isoquinolin-3-ylphenol;tetrahydrochloride?
The InChIKey is XIOQKOSXNYYBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO.4ClH/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15;;;;/h1-10,17H;4*1H.
What are the key properties of 4-isoquinolin-3-ylphenol;tetrahydrochloride?
4-isoquinolin-3-ylphenol;tetrahydrochloride has a molecular weight of 367.10 g/mol, XLogP of 5.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-3-ylphenol;tetrahydrochloride is sourced from PubChem (CID 140752997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).