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

C13H13NO3 — CID 941295

IUPAC(2-oxo-1H-quinolin-3-yl)methyl propanoate
SMILESCCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-2-12(15)17-8-10-7-9-5-3-4-6-11(9)14-13(10)16/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyOFLUUTLZAGJFSX-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.98
Rot. Bonds3

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

(2-oxo-1H-quinolin-3-yl)methyl propanoate (PubChem CID 941295) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl propanoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl propanoate
PubChem CID941295
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl propanoate
SMILESCCC(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-2-12(15)17-8-10-7-9-5-3-4-6-11(9)14-13(10)16/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyOFLUUTLZAGJFSX-UHFFFAOYSA-N
XLogP1.98
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester
CID 606180
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
2-Quinolone-3-carboxylic acid
CID 332488
3-methylquinolin-2(1H)-one
CID 440987
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
[2-(2,5-Dimethylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2369102

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl propanoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl propanoate (CID 941295) is (2-oxo-1H-quinolin-3-yl)methyl propanoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl propanoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl propanoate is CCC(=O)OCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl propanoate?
The InChIKey is OFLUUTLZAGJFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-12(15)17-8-10-7-9-5-3-4-6-11(9)14-13(10)16/h3-7H,2,8H2,1H3,(H,14,16).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl propanoate?
(2-oxo-1H-quinolin-3-yl)methyl propanoate has a molecular weight of 231.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl propanoate is sourced from PubChem (CID 941295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).