5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol

C19H18N2O — CID 2398303

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol
SMILESOc1ccc(CN2CCc3ccccc3C2)c2cccnc12
InChIInChI=1S/C19H18N2O/c22-18-8-7-16(17-6-3-10-20-19(17)18)13-21-11-9-14-4-1-2-5-15(14)12-21/h1-8,10,22H,9,11-13H2
InChIKeyZCKNVVFRDNVGHS-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.50
Rot. Bonds2

About 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol (PubChem CID 2398303) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol
PubChem CID2398303
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol
SMILESOc1ccc(CN2CCc3ccccc3C2)c2cccnc12
InChIInChI=1S/C19H18N2O/c22-18-8-7-16(17-6-3-10-20-19(17)18)13-21-11-9-14-4-1-2-5-15(14)12-21/h1-8,10,22H,9,11-13H2
InChIKeyZCKNVVFRDNVGHS-UHFFFAOYSA-N
XLogP3.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol (CID 2398303) is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol is Oc1ccc(CN2CCc3ccccc3C2)c2cccnc12.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
The InChIKey is ZCKNVVFRDNVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-18-8-7-16(17-6-3-10-20-19(17)18)13-21-11-9-14-4-1-2-5-15(14)12-21/h1-8,10,22H,9,11-13H2.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol has a molecular weight of 290.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 2398303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).