1-(4-methylquinolin-7-yl)oxypropan-2-one

C13H13NO2 — CID 82580314

IUPAC1-(4-methylquinolin-7-yl)oxypropan-2-one
SMILESCC(=O)COc1ccc2c(C)ccnc2c1
InChIInChI=1S/C13H13NO2/c1-9-5-6-14-13-7-11(3-4-12(9)13)16-8-10(2)15/h3-7H,8H2,1-2H3
InChIKeyBIODCKJRXGNINL-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-methylquinolin-7-yl)oxypropan-2-one

1-(4-methylquinolin-7-yl)oxypropan-2-one (PubChem CID 82580314) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(4-methylquinolin-7-yl)oxypropan-2-one.

Molecular Properties

Compound Name1-(4-methylquinolin-7-yl)oxypropan-2-one
PubChem CID82580314
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(4-methylquinolin-7-yl)oxypropan-2-one
SMILESCC(=O)COc1ccc2c(C)ccnc2c1
InChIInChI=1S/C13H13NO2/c1-9-5-6-14-13-7-11(3-4-12(9)13)16-8-10(2)15/h3-7H,8H2,1-2H3
InChIKeyBIODCKJRXGNINL-UHFFFAOYSA-N
XLogP2.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
1-isoquinolin-7-yloxypropan-2-one
CID 82580297
7-tert-butyl-4-methylquinoline
CID 176586336
4-methylquinoline-7-carbaldehyde
CID 22464912
ethane;7-fluoro-4-methylquinoline
CID 142037193
2-quinoxalin-6-yloxyacetate
CID 3520024
4-methyl-6-(2-methylpropoxy)quinoline
CID 82580912
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
4-bromo-7-ethoxyquinoline
CID 119087799
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinolin-7-yl)oxypropan-2-one?
The IUPAC name of 1-(4-methylquinolin-7-yl)oxypropan-2-one (CID 82580314) is 1-(4-methylquinolin-7-yl)oxypropan-2-one.
What is the SMILES notation for 1-(4-methylquinolin-7-yl)oxypropan-2-one?
The canonical SMILES for 1-(4-methylquinolin-7-yl)oxypropan-2-one is CC(=O)COc1ccc2c(C)ccnc2c1.
What is the InChIKey of 1-(4-methylquinolin-7-yl)oxypropan-2-one?
The InChIKey is BIODCKJRXGNINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-5-6-14-13-7-11(3-4-12(9)13)16-8-10(2)15/h3-7H,8H2,1-2H3.
What are the key properties of 1-(4-methylquinolin-7-yl)oxypropan-2-one?
1-(4-methylquinolin-7-yl)oxypropan-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylquinolin-7-yl)oxypropan-2-one is sourced from PubChem (CID 82580314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).