2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol

C18H16N2O — CID 69001123

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol
SMILESOc1cc2ccccc2nc1C1CNCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-17-9-12-5-2-4-8-16(12)20-18(17)15-11-19-10-13-6-1-3-7-14(13)15/h1-9,15,19,21H,10-11H2
InChIKeyCWVCGIBQWMDPOH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.18
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol

2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol (PubChem CID 69001123) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol
PubChem CID69001123
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol
SMILESOc1cc2ccccc2nc1C1CNCc2ccccc21
InChIInChI=1S/C18H16N2O/c21-17-9-12-5-2-4-8-16(12)20-18(17)15-11-19-10-13-6-1-3-7-14(13)15/h1-9,15,19,21H,10-11H2
InChIKeyCWVCGIBQWMDPOH-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol (CID 69001123) is 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol is Oc1cc2ccccc2nc1C1CNCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol?
The InChIKey is CWVCGIBQWMDPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-17-9-12-5-2-4-8-16(12)20-18(17)15-11-19-10-13-6-1-3-7-14(13)15/h1-9,15,19,21H,10-11H2.
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol?
2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol has a molecular weight of 276.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)quinolin-3-ol is sourced from PubChem (CID 69001123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).