propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate

C16H19NO3 — CID 39768222

IUPACpropyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate
SMILESCCCOC(=O)Cn1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C16H19NO3/c1-4-8-20-15(19)10-17-14(18)9-12(3)13-7-5-6-11(2)16(13)17/h5-7,9H,4,8,10H2,1-3H3
InChIKeyURYKLSMOERSAGW-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.57
Rot. Bonds4

About propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate

propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate (PubChem CID 39768222) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate
PubChem CID39768222
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namepropyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate
SMILESCCCOC(=O)Cn1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C16H19NO3/c1-4-8-20-15(19)10-17-14(18)9-12(3)13-7-5-6-11(2)16(13)17/h5-7,9H,4,8,10H2,1-3H3
InChIKeyURYKLSMOERSAGW-UHFFFAOYSA-N
XLogP2.57
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate?
The IUPAC name of propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate (CID 39768222) is propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate.
What is the SMILES notation for propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate?
The canonical SMILES for propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate is CCCOC(=O)Cn1c(=O)cc(C)c2cccc(C)c21.
What is the InChIKey of propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate?
The InChIKey is URYKLSMOERSAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-8-20-15(19)10-17-14(18)9-12(3)13-7-5-6-11(2)16(13)17/h5-7,9H,4,8,10H2,1-3H3.
What are the key properties of propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate?
propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate has a molecular weight of 273.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 39768222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).