1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline

C18H20N2 — CID 81218105

IUPAC1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2c1cccc2c1CCNC2
InChIInChI=1S/C18H20N2/c1-2-8-17-14(5-1)7-4-12-20(17)18-9-3-6-15-13-19-11-10-16(15)18/h1-3,5-6,8-9,19H,4,7,10-13H2
InChIKeyDNCWZWBRYZFLSH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.42
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline

1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline (PubChem CID 81218105) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
PubChem CID81218105
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2c1cccc2c1CCNC2
InChIInChI=1S/C18H20N2/c1-2-8-17-14(5-1)7-4-12-20(17)18-9-3-6-15-13-19-11-10-16(15)18/h1-3,5-6,8-9,19H,4,7,10-13H2
InChIKeyDNCWZWBRYZFLSH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline (CID 81218105) is 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2c1cccc2c1CCNC2.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is DNCWZWBRYZFLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-8-17-14(5-1)7-4-12-20(17)18-9-3-6-15-13-19-11-10-16(15)18/h1-3,5-6,8-9,19H,4,7,10-13H2.
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline?
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 264.37 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 81218105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).