[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol

C18H18N2O — CID 63895218

IUPAC[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
SMILESCN(C)c1ccc(C(O)c2cccc3cnccc23)cc1
InChIInChI=1S/C18H18N2O/c1-20(2)15-8-6-13(7-9-15)18(21)17-5-3-4-14-12-19-11-10-16(14)17/h3-12,18,21H,1-2H3
InChIKeyUUUUNUOXMSCRTC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.38
Rot. Bonds3

About [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol

[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol (PubChem CID 63895218) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
PubChem CID63895218
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
SMILESCN(C)c1ccc(C(O)c2cccc3cnccc23)cc1
InChIInChI=1S/C18H18N2O/c1-20(2)15-8-6-13(7-9-15)18(21)17-5-3-4-14-12-19-11-10-16(14)17/h3-12,18,21H,1-2H3
InChIKeyUUUUNUOXMSCRTC-UHFFFAOYSA-N
XLogP3.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
isoquinolin-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105094562

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol?
The IUPAC name of [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol (CID 63895218) is [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol is CN(C)c1ccc(C(O)c2cccc3cnccc23)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol?
The InChIKey is UUUUNUOXMSCRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20(2)15-8-6-13(7-9-15)18(21)17-5-3-4-14-12-19-11-10-16(14)17/h3-12,18,21H,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol?
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol has a molecular weight of 278.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol is sourced from PubChem (CID 63895218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).