4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline

C18H16N2 — CID 18326767

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline
SMILESc1ccc2c(c1)CCN(c1ccnc3ccccc13)C2
InChIInChI=1S/C18H16N2/c1-2-6-15-13-20(12-10-14(15)5-1)18-9-11-19-17-8-4-3-7-16(17)18/h1-9,11H,10,12-13H2
InChIKeyHRDFYQVITWAQGZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.80
Rot. Bonds1

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline

4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline (PubChem CID 18326767) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline
PubChem CID18326767
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline
SMILESc1ccc2c(c1)CCN(c1ccnc3ccccc13)C2
InChIInChI=1S/C18H16N2/c1-2-6-15-13-20(12-10-14(15)5-1)18-9-11-19-17-8-4-3-7-16(17)18/h1-9,11H,10,12-13H2
InChIKeyHRDFYQVITWAQGZ-UHFFFAOYSA-N
XLogP3.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline (CID 18326767) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline is c1ccc2c(c1)CCN(c1ccnc3ccccc13)C2.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline?
The InChIKey is HRDFYQVITWAQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-6-15-13-20(12-10-14(15)5-1)18-9-11-19-17-8-4-3-7-16(17)18/h1-9,11H,10,12-13H2.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline?
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline has a molecular weight of 260.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline is sourced from PubChem (CID 18326767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).