5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline

C18H16N2 — CID 62812285

IUPAC5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline
SMILESc1cc(-c2ccc3c(c2)CCCN3)c2ccncc2c1
InChIInChI=1S/C18H16N2/c1-3-15-12-19-10-8-17(15)16(5-1)13-6-7-18-14(11-13)4-2-9-20-18/h1,3,5-8,10-12,20H,2,4,9H2
InChIKeyNTPXETDHCBNAFA-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.26
Rot. Bonds1

About 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline

5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline (PubChem CID 62812285) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline
PubChem CID62812285
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline
SMILESc1cc(-c2ccc3c(c2)CCCN3)c2ccncc2c1
InChIInChI=1S/C18H16N2/c1-3-15-12-19-10-8-17(15)16(5-1)13-6-7-18-14(11-13)4-2-9-20-18/h1,3,5-8,10-12,20H,2,4,9H2
InChIKeyNTPXETDHCBNAFA-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 106646341
7-(1H-pyrazolo[5,4-c]pyridin-3-yl)-1,2,3,4-tetrahydroquinoline
CID 170703621
5-(3-chlorophenyl)isoquinoline
CID 23602252
6-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 114793362
5-pyrimidin-5-ylisoquinoline
CID 141337488
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122416201
3-isoquinolin-5-ylbenzaldehyde
CID 62812454
5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
CID 62813158
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
1-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 14747501

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline?
The IUPAC name of 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline (CID 62812285) is 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline?
The canonical SMILES for 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline is c1cc(-c2ccc3c(c2)CCCN3)c2ccncc2c1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline?
The InChIKey is NTPXETDHCBNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-15-12-19-10-8-17(15)16(5-1)13-6-7-18-14(11-13)4-2-9-20-18/h1,3,5-8,10-12,20H,2,4,9H2.
What are the key properties of 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline?
5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline has a molecular weight of 260.34 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline is sourced from PubChem (CID 62812285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).