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

C14H11ClN4O — CID 81221812

IUPAC6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
SMILESCCOc1nc(Cl)nc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C14H11ClN4O/c1-2-20-14-18-12(17-13(15)19-14)10-5-6-11-9(8-10)4-3-7-16-11/h3-8H,2H2,1H3
InChIKeyHOEKAIMDPHZOGU-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.14
Rot. Bonds3

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

6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline (PubChem CID 81221812) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline.

Molecular Properties

Compound Name6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
PubChem CID81221812
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
SMILESCCOc1nc(Cl)nc(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C14H11ClN4O/c1-2-20-14-18-12(17-13(15)19-14)10-5-6-11-9(8-10)4-3-7-16-11/h3-8H,2H2,1H3
InChIKeyHOEKAIMDPHZOGU-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

7-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)quinoline
CID 81230886
6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
CID 63611491
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 65221531
2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 113324560
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
2-chloro-4-(4-chloro-3-methoxyphenyl)-6-propoxy-1,3,5-triazine
CID 79710966
1-(2-chloro-4-quinolin-6-ylphenyl)ethanamine
CID 82781912
2-chloro-7-quinolin-6-ylquinoline
CID 176598696

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
The IUPAC name of 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline (CID 81221812) is 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline.
What is the SMILES notation for 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
The canonical SMILES for 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline is CCOc1nc(Cl)nc(-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
The InChIKey is HOEKAIMDPHZOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-2-20-14-18-12(17-13(15)19-14)10-5-6-11-9(8-10)4-3-7-16-11/h3-8H,2H2,1H3.
What are the key properties of 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline?
6-(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 6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline is sourced from PubChem (CID 81221812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).