1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone

C15H21NO — CID 68757527

IUPAC1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)NCCC2(C)C
InChIInChI=1S/C15H21NO/c1-5-11-8-13-14(9-12(11)10(2)17)16-7-6-15(13,3)4/h8-9,16H,5-7H2,1-4H3
InChIKeyJISSBSGLAFLRJP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.54
Rot. Bonds2

About 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone

1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone (PubChem CID 68757527) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
PubChem CID68757527
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)NCCC2(C)C
InChIInChI=1S/C15H21NO/c1-5-11-8-13-14(9-12(11)10(2)17)16-7-6-15(13,3)4/h8-9,16H,5-7H2,1-4H3
InChIKeyJISSBSGLAFLRJP-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
The IUPAC name of 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone (CID 68757527) is 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone is CCc1cc2c(cc1C(C)=O)NCCC2(C)C.
What is the InChIKey of 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
The InChIKey is JISSBSGLAFLRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-11-8-13-14(9-12(11)10(2)17)16-7-6-15(13,3)4/h8-9,16H,5-7H2,1-4H3.
What are the key properties of 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone?
1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)ethanone is sourced from PubChem (CID 68757527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).