(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol

C19H17NO — CID 79970972

IUPAC(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
SMILESOC(c1ccc(C2CC2)cc1)c1cncc2ccccc12
InChIInChI=1S/C19H17NO/c21-19(15-9-7-14(8-10-15)13-5-6-13)18-12-20-11-16-3-1-2-4-17(16)18/h1-4,7-13,19,21H,5-6H2
InChIKeyVHLGLWOQKTVTMW-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.19
Rot. Bonds3

About (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol

(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol (PubChem CID 79970972) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
PubChem CID79970972
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
SMILESOC(c1ccc(C2CC2)cc1)c1cncc2ccccc12
InChIInChI=1S/C19H17NO/c21-19(15-9-7-14(8-10-15)13-5-6-13)18-12-20-11-16-3-1-2-4-17(16)18/h1-4,7-13,19,21H,5-6H2
InChIKeyVHLGLWOQKTVTMW-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
CID 79972222
isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
CID 63940924
isoquinolin-4-yl-(3-methylphenyl)methanol
CID 63938792
(4-cyclopropylphenyl)-quinolin-3-ylmethanol
CID 79971514
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
CID 115797918

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol?
The IUPAC name of (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol (CID 79970972) is (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol.
What is the SMILES notation for (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol?
The canonical SMILES for (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol is OC(c1ccc(C2CC2)cc1)c1cncc2ccccc12.
What is the InChIKey of (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol?
The InChIKey is VHLGLWOQKTVTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-19(15-9-7-14(8-10-15)13-5-6-13)18-12-20-11-16-3-1-2-4-17(16)18/h1-4,7-13,19,21H,5-6H2.
What are the key properties of (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol?
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol has a molecular weight of 275.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-isoquinolin-4-ylmethanol is sourced from PubChem (CID 79970972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).