8-chloro-2,2,4,6-tetramethyl-1H-quinoline

C13H16ClN — CID 53419048

IUPAC8-chloro-2,2,4,6-tetramethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c(Cl)cc(C)cc21
InChIInChI=1S/C13H16ClN/c1-8-5-10-9(2)7-13(3,4)15-12(10)11(14)6-8/h5-7,15H,1-4H3
InChIKeyHQGUWMSZRVGYFR-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.26
Rot. Bonds

About 8-chloro-2,2,4,6-tetramethyl-1H-quinoline

8-chloro-2,2,4,6-tetramethyl-1H-quinoline (PubChem CID 53419048) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 8-chloro-2,2,4,6-tetramethyl-1H-quinoline.

Molecular Properties

Compound Name8-chloro-2,2,4,6-tetramethyl-1H-quinoline
PubChem CID53419048
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name8-chloro-2,2,4,6-tetramethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c(Cl)cc(C)cc21
InChIInChI=1S/C13H16ClN/c1-8-5-10-9(2)7-13(3,4)15-12(10)11(14)6-8/h5-7,15H,1-4H3
InChIKeyHQGUWMSZRVGYFR-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-2,2,4-trimethyl-1H-quinoline
CID 57023724
7-chloro-2,2,4,8-tetramethyl-1H-quinoline
CID 53418902
2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide
CID 91670642
6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline
CID 102221947
2,2,4,8-tetramethyl-N-propan-2-yl-1H-quinolin-6-amine
CID 170610773
6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide
CID 163410416
4-chloro-2,2,6-trimethyl-1H-quinoline
CID 119090674
2,2,4-trimethyl-8-methylsulfanyl-N-phenyl-1H-quinolin-6-amine
CID 170610684
2,2,4-trimethyl-1H-quinolin-7-ol
CID 23433587
6-bromo-2,2,4,7-tetramethyl-1H-quinoline
CID 53418602
8-ethyl-2,2,4-trimethyl-N-(4-methylpentan-2-yl)-1H-quinolin-6-amine
CID 171819461
2,2,4-trimethyl-1H-quinoline;hydrochloride
CID 6602975

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2,4,6-tetramethyl-1H-quinoline?
The IUPAC name of 8-chloro-2,2,4,6-tetramethyl-1H-quinoline (CID 53419048) is 8-chloro-2,2,4,6-tetramethyl-1H-quinoline.
What is the SMILES notation for 8-chloro-2,2,4,6-tetramethyl-1H-quinoline?
The canonical SMILES for 8-chloro-2,2,4,6-tetramethyl-1H-quinoline is CC1=CC(C)(C)Nc2c(Cl)cc(C)cc21.
What is the InChIKey of 8-chloro-2,2,4,6-tetramethyl-1H-quinoline?
The InChIKey is HQGUWMSZRVGYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-8-5-10-9(2)7-13(3,4)15-12(10)11(14)6-8/h5-7,15H,1-4H3.
What are the key properties of 8-chloro-2,2,4,6-tetramethyl-1H-quinoline?
8-chloro-2,2,4,6-tetramethyl-1H-quinoline has a molecular weight of 221.73 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2,4,6-tetramethyl-1H-quinoline is sourced from PubChem (CID 53419048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).