8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline

C11H14ClN — CID 53408516

IUPAC8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2c(Cl)cccc21
InChIInChI=1S/C11H14ClN/c1-11(2)6-7-13-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3
InChIKeyHTAZLKVIDBIQSZ-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.43
Rot. Bonds

About 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline

8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 53408516) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID53408516
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2c(Cl)cccc21
InChIInChI=1S/C11H14ClN/c1-11(2)6-7-13-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3
InChIKeyHTAZLKVIDBIQSZ-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 53408516) is 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CCNc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is HTAZLKVIDBIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-11(2)6-7-13-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline?
8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 195.69 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 53408516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).