(2-aminophenyl)-isoquinolin-5-ylmethanol

C16H14N2O — CID 64832372

IUPAC(2-aminophenyl)-isoquinolin-5-ylmethanol
SMILESNc1ccccc1C(O)c1cccc2cnccc12
InChIInChI=1S/C16H14N2O/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H,17H2
InChIKeyOTXRIQXSRFIZOH-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.90
Rot. Bonds2

About (2-aminophenyl)-isoquinolin-5-ylmethanol

(2-aminophenyl)-isoquinolin-5-ylmethanol (PubChem CID 64832372) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-aminophenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2-aminophenyl)-isoquinolin-5-ylmethanol
PubChem CID64832372
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(2-aminophenyl)-isoquinolin-5-ylmethanol
SMILESNc1ccccc1C(O)c1cccc2cnccc12
InChIInChI=1S/C16H14N2O/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H,17H2
InChIKeyOTXRIQXSRFIZOH-UHFFFAOYSA-N
XLogP2.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 100804210
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2-aminophenyl)-isoquinolin-5-ylmethanol (CID 64832372) is (2-aminophenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2-aminophenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2-aminophenyl)-isoquinolin-5-ylmethanol is Nc1ccccc1C(O)c1cccc2cnccc12.
What is the InChIKey of (2-aminophenyl)-isoquinolin-5-ylmethanol?
The InChIKey is OTXRIQXSRFIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H,17H2.
What are the key properties of (2-aminophenyl)-isoquinolin-5-ylmethanol?
(2-aminophenyl)-isoquinolin-5-ylmethanol has a molecular weight of 250.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 64832372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).