1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane

C13H19NO — CID 143423489

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C11H13NO.C2H6/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12;1-2/h2-3,5,7H,4,6,8H2,1H3;1-2H3
InChIKeyQPYBGUWJQFCGFR-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.01
Rot. Bonds

About 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane

1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane (PubChem CID 143423489) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
PubChem CID143423489
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C11H13NO.C2H6/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12;1-2/h2-3,5,7H,4,6,8H2,1H3;1-2H3
InChIKeyQPYBGUWJQFCGFR-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)but-2-enoic acid
CID 77069929
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane (CID 143423489) is 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane is CC.CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The InChIKey is QPYBGUWJQFCGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12;1-2/h2-3,5,7H,4,6,8H2,1H3;1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane has a molecular weight of 205.30 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane is sourced from PubChem (CID 143423489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).