2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline

C22H13ClN4 — CID 156900627

IUPAC2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C22H13ClN4/c23-22-26-20(17-10-9-14-5-1-2-7-16(14)13-17)25-21(27-22)19-12-11-15-6-3-4-8-18(15)24-19/h1-13H
InChIKeyQAGSIUVTLUAFOA-UHFFFAOYSA-N
MW368.83 g/mol
LogP5.56
Rot. Bonds2

About 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline

2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline (PubChem CID 156900627) has the molecular formula C22H13ClN4 and a molecular weight of 368.83 g/mol. Its IUPAC name is 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline.

Molecular Properties

Compound Name2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline
PubChem CID156900627
Molecular FormulaC22H13ClN4
Molecular Weight368.83 g/mol
Exact Mass368.08
IUPAC Name2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C22H13ClN4/c23-22-26-20(17-10-9-14-5-1-2-7-16(14)13-17)25-21(27-22)19-12-11-15-6-3-4-8-18(15)24-19/h1-13H
InChIKeyQAGSIUVTLUAFOA-UHFFFAOYSA-N
XLogP5.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.83
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164745875
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
CID 118582341
2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 177297066
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 174301395
2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211
2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline
CID 142479205
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline?
The IUPAC name of 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline (CID 156900627) is 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline.
What is the SMILES notation for 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline?
The canonical SMILES for 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline is Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline?
The InChIKey is QAGSIUVTLUAFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN4/c23-22-26-20(17-10-9-14-5-1-2-7-16(14)13-17)25-21(27-22)19-12-11-15-6-3-4-8-18(15)24-19/h1-13H.
What are the key properties of 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline?
2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline has a molecular weight of 368.83 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline is sourced from PubChem (CID 156900627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).