6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one

C16H23NO — CID 106801125

IUPAC6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1c2ccccc2CCC1C
InChIInChI=1S/C16H23NO/c1-3-15(18)8-6-12-17-13(2)10-11-14-7-4-5-9-16(14)17/h4-5,7,9,13H,3,6,8,10-12H2,1-2H3
InChIKeyYIUUFTAKLXJGKN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.59
Rot. Bonds5

About 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one

6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one (PubChem CID 106801125) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one.

Molecular Properties

Compound Name6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
PubChem CID106801125
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1c2ccccc2CCC1C
InChIInChI=1S/C16H23NO/c1-3-15(18)8-6-12-17-13(2)10-11-14-7-4-5-9-16(14)17/h4-5,7,9,13H,3,6,8,10-12H2,1-2H3
InChIKeyYIUUFTAKLXJGKN-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
2,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexanimidamide
CID 106711911
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 61396775
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one?
The IUPAC name of 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one (CID 106801125) is 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one.
What is the SMILES notation for 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one?
The canonical SMILES for 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one is CCC(=O)CCCN1c2ccccc2CCC1C.
What is the InChIKey of 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one?
The InChIKey is YIUUFTAKLXJGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-15(18)8-6-12-17-13(2)10-11-14-7-4-5-9-16(14)17/h4-5,7,9,13H,3,6,8,10-12H2,1-2H3.
What are the key properties of 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one?
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one has a molecular weight of 245.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one is sourced from PubChem (CID 106801125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).