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

C15H21NO — CID 78776221

IUPAC1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C15H21NO/c1-3-4-7-15(17)16-10-5-6-13-11-12(2)8-9-14(13)16/h8-9,11H,3-7,10H2,1-2H3
InChIKeyQVCZYAYDUSHFPH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.46
Rot. Bonds3

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

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (PubChem CID 78776221) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
PubChem CID78776221
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C15H21NO/c1-3-4-7-15(17)16-10-5-6-13-11-12(2)8-9-14(13)16/h8-9,11H,3-7,10H2,1-2H3
InChIKeyQVCZYAYDUSHFPH-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
CID 60598985
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
6-amino-4,4-dimethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 65293253
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82259566
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75485040
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 34225063
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19591085

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (CID 78776221) is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The canonical SMILES for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is CCCCC(=O)N1CCCc2cc(C)ccc21.
What is the InChIKey of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The InChIKey is QVCZYAYDUSHFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-7-15(17)16-10-5-6-13-11-12(2)8-9-14(13)16/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is sourced from PubChem (CID 78776221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).