ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate

C14H15NO3 — CID 70807104

IUPACethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15NO3/c1-3-18-13(16)8-11-9(2)15-12-7-5-4-6-10(12)14(11)17/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyJIMWVIXDHCBJTI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.94
Rot. Bonds3

About ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate

ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate (PubChem CID 70807104) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
PubChem CID70807104
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15NO3/c1-3-18-13(16)8-11-9(2)15-12-7-5-4-6-10(12)14(11)17/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyJIMWVIXDHCBJTI-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 66789845
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405594
(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 7576620
ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577846
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
CID 138373891
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate (CID 70807104) is ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate is CCOC(=O)Cc1c(C)[nH]c2ccccc2c1=O.
What is the InChIKey of ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is JIMWVIXDHCBJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-18-13(16)8-11-9(2)15-12-7-5-4-6-10(12)14(11)17/h4-7H,3,8H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate?
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 70807104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).