4-chloro-2,2,6-trimethyl-1H-quinoline

C12H14ClN — CID 119090674

IUPAC4-chloro-2,2,6-trimethyl-1H-quinoline
SMILESCc1ccc2c(c1)C(Cl)=CC(C)(C)N2
InChIInChI=1S/C12H14ClN/c1-8-4-5-11-9(6-8)10(13)7-12(2,3)14-11/h4-7,14H,1-3H3
InChIKeyRZZAJDSPFROBDU-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.78
Rot. Bonds

About 4-chloro-2,2,6-trimethyl-1H-quinoline

4-chloro-2,2,6-trimethyl-1H-quinoline (PubChem CID 119090674) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-chloro-2,2,6-trimethyl-1H-quinoline.

Molecular Properties

Compound Name4-chloro-2,2,6-trimethyl-1H-quinoline
PubChem CID119090674
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name4-chloro-2,2,6-trimethyl-1H-quinoline
SMILESCc1ccc2c(c1)C(Cl)=CC(C)(C)N2
InChIInChI=1S/C12H14ClN/c1-8-4-5-11-9(6-8)10(13)7-12(2,3)14-11/h4-7,14H,1-3H3
InChIKeyRZZAJDSPFROBDU-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2,6-trimethyl-1H-quinoline?
The IUPAC name of 4-chloro-2,2,6-trimethyl-1H-quinoline (CID 119090674) is 4-chloro-2,2,6-trimethyl-1H-quinoline.
What is the SMILES notation for 4-chloro-2,2,6-trimethyl-1H-quinoline?
The canonical SMILES for 4-chloro-2,2,6-trimethyl-1H-quinoline is Cc1ccc2c(c1)C(Cl)=CC(C)(C)N2.
What is the InChIKey of 4-chloro-2,2,6-trimethyl-1H-quinoline?
The InChIKey is RZZAJDSPFROBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-8-4-5-11-9(6-8)10(13)7-12(2,3)14-11/h4-7,14H,1-3H3.
What are the key properties of 4-chloro-2,2,6-trimethyl-1H-quinoline?
4-chloro-2,2,6-trimethyl-1H-quinoline has a molecular weight of 207.70 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2,6-trimethyl-1H-quinoline is sourced from PubChem (CID 119090674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).