3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol

C17H16ClNO — CID 10085358

IUPAC3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol
SMILESOc1cc2c(cc1Cl)CCN1CCc3ccccc3C21
InChIInChI=1S/C17H16ClNO/c18-15-9-12-6-8-19-7-5-11-3-1-2-4-13(11)17(19)14(12)10-16(15)20/h1-4,9-10,17,20H,5-8H2
InChIKeyDHNFZLUQSVLKHW-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.55
Rot. Bonds

About 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol

3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol (PubChem CID 10085358) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol.

Molecular Properties

Compound Name3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol
PubChem CID10085358
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol
SMILESOc1cc2c(cc1Cl)CCN1CCc3ccccc3C21
InChIInChI=1S/C17H16ClNO/c18-15-9-12-6-8-19-7-5-11-3-1-2-4-13(11)17(19)14(12)10-16(15)20/h1-4,9-10,17,20H,5-8H2
InChIKeyDHNFZLUQSVLKHW-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol?
The IUPAC name of 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol (CID 10085358) is 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol.
What is the SMILES notation for 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol?
The canonical SMILES for 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol is Oc1cc2c(cc1Cl)CCN1CCc3ccccc3C21.
What is the InChIKey of 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol?
The InChIKey is DHNFZLUQSVLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-15-9-12-6-8-19-7-5-11-3-1-2-4-13(11)17(19)14(12)10-16(15)20/h1-4,9-10,17,20H,5-8H2.
What are the key properties of 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol?
3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol has a molecular weight of 285.77 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-2-ol is sourced from PubChem (CID 10085358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).