3-isoquinolin-4-yl-1-phenylpropan-1-ol

C18H17NO — CID 64513744

IUPAC3-isoquinolin-4-yl-1-phenylpropan-1-ol
SMILESOC(CCc1cncc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(14-6-2-1-3-7-14)11-10-16-13-19-12-15-8-4-5-9-17(15)16/h1-9,12-13,18,20H,10-11H2
InChIKeyDKWPLKXLMOAQIL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.90
Rot. Bonds4

About 3-isoquinolin-4-yl-1-phenylpropan-1-ol

3-isoquinolin-4-yl-1-phenylpropan-1-ol (PubChem CID 64513744) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-isoquinolin-4-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-isoquinolin-4-yl-1-phenylpropan-1-ol
PubChem CID64513744
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-isoquinolin-4-yl-1-phenylpropan-1-ol
SMILESOC(CCc1cncc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(14-6-2-1-3-7-14)11-10-16-13-19-12-15-8-4-5-9-17(15)16/h1-9,12-13,18,20H,10-11H2
InChIKeyDKWPLKXLMOAQIL-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine
CID 64506068
3-isoquinolin-4-yl-2-phenylpropanoic acid
CID 81008724
4-(3-bromohexyl)isoquinoline
CID 64509411
4-(3-chloro-3-cyclopropylpropyl)isoquinoline
CID 64507989
isoquinolin-4-ylmethanethiol
CID 104505444
2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
(2S)-2-amino-3-isoquinolin-4-ylpropanoic acid
CID 103693021
4-(chloromethyl)isoquinoline;hydrochloride
CID 12746379
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
2-isoquinolin-4-ylethanesulfonyl chloride
CID 84805050

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-4-yl-1-phenylpropan-1-ol?
The IUPAC name of 3-isoquinolin-4-yl-1-phenylpropan-1-ol (CID 64513744) is 3-isoquinolin-4-yl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-isoquinolin-4-yl-1-phenylpropan-1-ol?
The canonical SMILES for 3-isoquinolin-4-yl-1-phenylpropan-1-ol is OC(CCc1cncc2ccccc12)c1ccccc1.
What is the InChIKey of 3-isoquinolin-4-yl-1-phenylpropan-1-ol?
The InChIKey is DKWPLKXLMOAQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18(14-6-2-1-3-7-14)11-10-16-13-19-12-15-8-4-5-9-17(15)16/h1-9,12-13,18,20H,10-11H2.
What are the key properties of 3-isoquinolin-4-yl-1-phenylpropan-1-ol?
3-isoquinolin-4-yl-1-phenylpropan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-4-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 64513744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).