8-chloro-2,2,4-trimethyl-1H-quinoline

C12H14ClN — CID 57023724

IUPAC8-chloro-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c(Cl)cccc21
InChIInChI=1S/C12H14ClN/c1-8-7-12(2,3)14-11-9(8)5-4-6-10(11)13/h4-7,14H,1-3H3
InChIKeyOMWKZDJMMWLMNQ-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.95
Rot. Bonds

About 8-chloro-2,2,4-trimethyl-1H-quinoline

8-chloro-2,2,4-trimethyl-1H-quinoline (PubChem CID 57023724) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 8-chloro-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name8-chloro-2,2,4-trimethyl-1H-quinoline
PubChem CID57023724
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name8-chloro-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c(Cl)cccc21
InChIInChI=1S/C12H14ClN/c1-8-7-12(2,3)14-11-9(8)5-4-6-10(11)13/h4-7,14H,1-3H3
InChIKeyOMWKZDJMMWLMNQ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 8-chloro-2,2,4-trimethyl-1H-quinoline (CID 57023724) is 8-chloro-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 8-chloro-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 8-chloro-2,2,4-trimethyl-1H-quinoline is CC1=CC(C)(C)Nc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-2,2,4-trimethyl-1H-quinoline?
The InChIKey is OMWKZDJMMWLMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-8-7-12(2,3)14-11-9(8)5-4-6-10(11)13/h4-7,14H,1-3H3.
What are the key properties of 8-chloro-2,2,4-trimethyl-1H-quinoline?
8-chloro-2,2,4-trimethyl-1H-quinoline has a molecular weight of 207.70 g/mol, XLogP of 3.95, 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-trimethyl-1H-quinoline is sourced from PubChem (CID 57023724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).