(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate

C14H15NO3 — CID 663849

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
SMILESCCC(=O)OCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C14H15NO3/c1-3-12(16)18-8-11-7-10-6-4-5-9(2)13(10)15-14(11)17/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyOPEWGRPOETTYCM-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.29
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate (PubChem CID 663849) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
PubChem CID663849
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
SMILESCCC(=O)OCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C14H15NO3/c1-3-12(16)18-8-11-7-10-6-4-5-9(2)13(10)15-14(11)17/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyOPEWGRPOETTYCM-UHFFFAOYSA-N
XLogP2.29
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate (CID 663849) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate is CCC(=O)OCc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate?
The InChIKey is OPEWGRPOETTYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-12(16)18-8-11-7-10-6-4-5-9(2)13(10)15-14(11)17/h4-7H,3,8H2,1-2H3,(H,15,17).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate has a molecular weight of 245.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate is sourced from PubChem (CID 663849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).