3-methyl-1-quinolin-2-ylhexan-1-one

C16H19NO — CID 63222374

IUPAC3-methyl-1-quinolin-2-ylhexan-1-one
SMILESCCCC(C)CC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H19NO/c1-3-6-12(2)11-16(18)15-10-9-13-7-4-5-8-14(13)17-15/h4-5,7-10,12H,3,6,11H2,1-2H3
InChIKeyBUGINXPMGPLYJA-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.24
Rot. Bonds5

About 3-methyl-1-quinolin-2-ylhexan-1-one

3-methyl-1-quinolin-2-ylhexan-1-one (PubChem CID 63222374) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-1-quinolin-2-ylhexan-1-one.

Molecular Properties

Compound Name3-methyl-1-quinolin-2-ylhexan-1-one
PubChem CID63222374
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-methyl-1-quinolin-2-ylhexan-1-one
SMILESCCCC(C)CC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H19NO/c1-3-6-12(2)11-16(18)15-10-9-13-7-4-5-8-14(13)17-15/h4-5,7-10,12H,3,6,11H2,1-2H3
InChIKeyBUGINXPMGPLYJA-UHFFFAOYSA-N
XLogP4.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-quinolin-2-ylbutan-1-one
CID 14895778
2-methyl-4-oxo-4-quinolin-2-ylbutanenitrile
CID 64955884
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
2-(ethylamino)-1-quinolin-2-ylpropan-1-one
CID 15501222
2-amino-1-quinolin-2-ylethanone
CID 23532024
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
2-(4-ethylphenyl)-1-quinolin-2-ylethanone
CID 63409967
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
3-methyl-1-quinolin-2-ylbut-3-en-1-one
CID 79177139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-quinolin-2-ylhexan-1-one?
The IUPAC name of 3-methyl-1-quinolin-2-ylhexan-1-one (CID 63222374) is 3-methyl-1-quinolin-2-ylhexan-1-one.
What is the SMILES notation for 3-methyl-1-quinolin-2-ylhexan-1-one?
The canonical SMILES for 3-methyl-1-quinolin-2-ylhexan-1-one is CCCC(C)CC(=O)c1ccc2ccccc2n1.
What is the InChIKey of 3-methyl-1-quinolin-2-ylhexan-1-one?
The InChIKey is BUGINXPMGPLYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-6-12(2)11-16(18)15-10-9-13-7-4-5-8-14(13)17-15/h4-5,7-10,12H,3,6,11H2,1-2H3.
What are the key properties of 3-methyl-1-quinolin-2-ylhexan-1-one?
3-methyl-1-quinolin-2-ylhexan-1-one has a molecular weight of 241.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-quinolin-2-ylhexan-1-one is sourced from PubChem (CID 63222374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).