5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol

C19H17ClN2O — CID 726503

IUPAC5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12
InChIInChI=1S/C19H17ClN2O/c20-17-10-15(19(23)18-16(17)6-3-8-21-18)12-22-9-7-13-4-1-2-5-14(13)11-22/h1-6,8,10,23H,7,9,11-12H2
InChIKeyGINDUKKWVPOXHU-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.15
Rot. Bonds2

About 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol

5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol (PubChem CID 726503) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol
PubChem CID726503
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12
InChIInChI=1S/C19H17ClN2O/c20-17-10-15(19(23)18-16(17)6-3-8-21-18)12-22-9-7-13-4-1-2-5-14(13)11-22/h1-6,8,10,23H,7,9,11-12H2
InChIKeyGINDUKKWVPOXHU-UHFFFAOYSA-N
XLogP4.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol (CID 726503) is 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol is Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
The InChIKey is GINDUKKWVPOXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-17-10-15(19(23)18-16(17)6-3-8-21-18)12-22-9-7-13-4-1-2-5-14(13)11-22/h1-6,8,10,23H,7,9,11-12H2.
What are the key properties of 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol?
5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol has a molecular weight of 324.81 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 726503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).