isoquinolin-4-yl(pyrimidin-5-yl)methanol

C14H11N3O — CID 104504669

IUPACisoquinolin-4-yl(pyrimidin-5-yl)methanol
SMILESOC(c1cncnc1)c1cncc2ccccc12
InChIInChI=1S/C14H11N3O/c18-14(11-6-16-9-17-7-11)13-8-15-5-10-3-1-2-4-12(10)13/h1-9,14,18H
InChIKeyQOTKNLLNXHMUJB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.11
Rot. Bonds2

About isoquinolin-4-yl(pyrimidin-5-yl)methanol

isoquinolin-4-yl(pyrimidin-5-yl)methanol (PubChem CID 104504669) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is isoquinolin-4-yl(pyrimidin-5-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl(pyrimidin-5-yl)methanol
PubChem CID104504669
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Nameisoquinolin-4-yl(pyrimidin-5-yl)methanol
SMILESOC(c1cncnc1)c1cncc2ccccc12
InChIInChI=1S/C14H11N3O/c18-14(11-6-16-9-17-7-11)13-8-15-5-10-3-1-2-4-12(10)13/h1-9,14,18H
InChIKeyQOTKNLLNXHMUJB-UHFFFAOYSA-N
XLogP2.11
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-4-yl-(3-methylphenyl)methanol
CID 63938792
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
CID 79970972
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol
CID 65363281
isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
CID 63940924
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
CID 63939378
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
CID 115797945
(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol
CID 82703403

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl(pyrimidin-5-yl)methanol?
The IUPAC name of isoquinolin-4-yl(pyrimidin-5-yl)methanol (CID 104504669) is isoquinolin-4-yl(pyrimidin-5-yl)methanol.
What is the SMILES notation for isoquinolin-4-yl(pyrimidin-5-yl)methanol?
The canonical SMILES for isoquinolin-4-yl(pyrimidin-5-yl)methanol is OC(c1cncnc1)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl(pyrimidin-5-yl)methanol?
The InChIKey is QOTKNLLNXHMUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14(11-6-16-9-17-7-11)13-8-15-5-10-3-1-2-4-12(10)13/h1-9,14,18H.
What are the key properties of isoquinolin-4-yl(pyrimidin-5-yl)methanol?
isoquinolin-4-yl(pyrimidin-5-yl)methanol has a molecular weight of 237.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl(pyrimidin-5-yl)methanol is sourced from PubChem (CID 104504669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).