3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C18H17Cl2NO — CID 100601838

IUPAC3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCc1c(Cl)cccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H17Cl2NO/c19-15-7-3-8-16(20)14(15)10-11-18(22)21-12-4-6-13-5-1-2-9-17(13)21/h1-3,5,7-9H,4,6,10-12H2
InChIKeySTOCUCHVQCEUDI-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.91
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 100601838) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID100601838
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCc1c(Cl)cccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H17Cl2NO/c19-15-7-3-8-16(20)14(15)10-11-18(22)21-12-4-6-13-5-1-2-9-17(13)21/h1-3,5,7-9H,4,6,10-12H2
InChIKeySTOCUCHVQCEUDI-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143717
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110333640
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 100601838) is 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is O=C(CCc1c(Cl)cccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is STOCUCHVQCEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c19-15-7-3-8-16(20)14(15)10-11-18(22)21-12-4-6-13-5-1-2-9-17(13)21/h1-3,5,7-9H,4,6,10-12H2.
What are the key properties of 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 334.25 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 100601838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).