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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Related Compounds

2-Chloro-9,10-dihydro-N,N-dimethyl-9-acridinepropanamine
CID 21382
6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
CID 107292
6-Chloro-1,2-dihydro-2,2,4-trimethylquinoline
CID 81287
8-Chloro-1,2,3,4-tetrahydroquinoline
CID 13219443
5-Chloro-1,13-diazatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene
CID 134141640
4-Chloro-n-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
CID 90939
6-Chloro-1,2,3,4-tetrahydroquinoline
CID 11182839
2,2-Dimethyl-1,2,3,4-tetrahydroquinoline
CID 13495806
6-Chlorospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
CID 9964901
6-chloro-N,4,4-trimethyl-1,3-dihydroquinolin-2-imine
CID 136258768
6-chloro-N-ethyl-4,4-dimethyl-1,3-dihydroquinolin-2-imine
CID 136258769

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).