2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one

C16H19NO — CID 102319888

IUPAC2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
SMILESCCC(CC)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H19NO/c1-4-12(5-2)16(18)14-10-11(3)17-15-9-7-6-8-13(14)15/h6-10,12H,4-5H2,1-3H3
InChIKeyZUNCKUAQOQGKTN-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.16
Rot. Bonds4

About 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one

2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one (PubChem CID 102319888) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
PubChem CID102319888
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
SMILESCCC(CC)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H19NO/c1-4-12(5-2)16(18)14-10-11(3)17-15-9-7-6-8-13(14)15/h6-10,12H,4-5H2,1-3H3
InChIKeyZUNCKUAQOQGKTN-UHFFFAOYSA-N
XLogP4.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
1-(2-methylquinolin-4-yl)prop-2-yn-1-one
CID 105108238
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
CID 105078848
benzyl 2-methylquinoline-4-carboxylate
CID 804130
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one (CID 102319888) is 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one is CCC(CC)C(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one?
The InChIKey is ZUNCKUAQOQGKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-12(5-2)16(18)14-10-11(3)17-15-9-7-6-8-13(14)15/h6-10,12H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one?
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one has a molecular weight of 241.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one is sourced from PubChem (CID 102319888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).