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

C14H11ClN4O — CID 116645207

IUPAC2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
SMILESCCOc1nc(Cl)nc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C14H11ClN4O/c1-2-20-14-18-12(17-13(15)19-14)11-8-7-9-5-3-4-6-10(9)16-11/h3-8H,2H2,1H3
InChIKeyZFTIQCGZBDSVPV-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.14
Rot. Bonds3

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

2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline (PubChem CID 116645207) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline.

Molecular Properties

Compound Name2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
PubChem CID116645207
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
SMILESCCOc1nc(Cl)nc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C14H11ClN4O/c1-2-20-14-18-12(17-13(15)19-14)11-8-7-9-5-3-4-6-10(9)16-11/h3-8H,2H2,1H3
InChIKeyZFTIQCGZBDSVPV-UHFFFAOYSA-N
XLogP3.14
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline
CID 156900627
6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 81221812
4-methoxy-6-quinolin-2-yl-1,3,5-triazin-2-amine
CID 116645315
2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine
CID 104739155
7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline
CID 81230886
2-(4-chloropyrimidin-2-yl)quinoline
CID 63222790
2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 113324560
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole
CID 79754810
5-ethyl-6-methyl-2-quinolin-2-ylpyrimidin-4-amine
CID 63222321
2,4-dichloro-6-(2-ethoxyphenoxy)-1,3,5-triazine
CID 62858074
2-[4-(chloromethyl)pyrimidin-2-yl]quinoline
CID 63222282
2-chloro-4-ethoxy-6-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 102752863

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
The IUPAC name of 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline (CID 116645207) is 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline.
What is the SMILES notation for 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
The canonical SMILES for 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline is CCOc1nc(Cl)nc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
The InChIKey is ZFTIQCGZBDSVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-2-20-14-18-12(17-13(15)19-14)11-8-7-9-5-3-4-6-10(9)16-11/h3-8H,2H2,1H3.
What are the key properties of 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline has a molecular weight of 286.72 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline is sourced from PubChem (CID 116645207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).