4-methoxy-1-quinolin-2-ylbutan-2-one

C14H15NO2 — CID 43139081

IUPAC4-methoxy-1-quinolin-2-ylbutan-2-one
SMILESCOCCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-17-9-8-13(16)10-12-7-6-11-4-2-3-5-14(11)15-12/h2-7H,8-10H2,1H3
InChIKeyFNGSHVLOUZNUCL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.38
Rot. Bonds5

About 4-methoxy-1-quinolin-2-ylbutan-2-one

4-methoxy-1-quinolin-2-ylbutan-2-one (PubChem CID 43139081) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methoxy-1-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name4-methoxy-1-quinolin-2-ylbutan-2-one
PubChem CID43139081
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-methoxy-1-quinolin-2-ylbutan-2-one
SMILESCOCCC(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-17-9-8-13(16)10-12-7-6-11-4-2-3-5-14(11)15-12/h2-7H,8-10H2,1H3
InChIKeyFNGSHVLOUZNUCL-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-2-ylpentan-2-one
CID 28935199
4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
CID 103147109
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
1-methoxy-4-quinolin-2-ylbutan-2-one
CID 79417247
2-(2-methoxyethyl)quinoline
CID 129321824
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1,2-di(quinolin-2-yl)ethanone
CID 24973307
methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate
CID 110464188
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-quinolin-2-ylbutan-2-one?
The IUPAC name of 4-methoxy-1-quinolin-2-ylbutan-2-one (CID 43139081) is 4-methoxy-1-quinolin-2-ylbutan-2-one.
What is the SMILES notation for 4-methoxy-1-quinolin-2-ylbutan-2-one?
The canonical SMILES for 4-methoxy-1-quinolin-2-ylbutan-2-one is COCCC(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 4-methoxy-1-quinolin-2-ylbutan-2-one?
The InChIKey is FNGSHVLOUZNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-9-8-13(16)10-12-7-6-11-4-2-3-5-14(11)15-12/h2-7H,8-10H2,1H3.
What are the key properties of 4-methoxy-1-quinolin-2-ylbutan-2-one?
4-methoxy-1-quinolin-2-ylbutan-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 43139081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).