6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline

C12H16ClN — CID 84723056

IUPAC6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)CCc2cc(Cl)ccc2N1
InChIInChI=1S/C12H16ClN/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyDWYJZBZQSORPGO-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.87
Rot. Bonds1

About 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline

6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline (PubChem CID 84723056) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
PubChem CID84723056
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)CCc2cc(Cl)ccc2N1
InChIInChI=1S/C12H16ClN/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyDWYJZBZQSORPGO-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline (CID 84723056) is 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline is CCC1(C)CCc2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline?
The InChIKey is DWYJZBZQSORPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline?
6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline has a molecular weight of 209.72 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 84723056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).