ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate

C16H16N2O3 — CID 66487502

IUPACethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C#N)c(=O)c2ccc(C)c(C)c21
InChIInChI=1S/C16H16N2O3/c1-4-21-14(19)9-18-8-12(7-17)16(20)13-6-5-10(2)11(3)15(13)18/h5-6,8H,4,9H2,1-3H3
InChIKeyWTMWDUSYHACBLX-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.05
Rot. Bonds3

About ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate

ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate (PubChem CID 66487502) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate
PubChem CID66487502
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C#N)c(=O)c2ccc(C)c(C)c21
InChIInChI=1S/C16H16N2O3/c1-4-21-14(19)9-18-8-12(7-17)16(20)13-6-5-10(2)11(3)15(13)18/h5-6,8H,4,9H2,1-3H3
InChIKeyWTMWDUSYHACBLX-UHFFFAOYSA-N
XLogP2.05
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6,7-trimethylindole-3-carbonitrile
CID 82490741
ethyl 2-[3-(2,2-dicyanoethenyl)-4-oxoquinolin-1-yl]acetate
CID 135010121
ethyl 5-[[2-(3-cyano-4-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 51135504
ethyl 4-(5-cyano-2,4-dioxopyrimidin-1-yl)butanoate
CID 113225179
2-(3-cyano-7-ethylindol-1-yl)acetamide
CID 900742
ethyl 2-[2-(aminomethyl)-6-cyano-3-methylphenyl]acetate
CID 134654938
ethyl 2-[3-cyano-2-(hydroxymethyl)-6-methylphenyl]acetate
CID 134614695
ethyl 2-[6-(chloromethyl)-3-cyano-2-methylphenyl]acetate
CID 134633697
ethyl 2-(2-cyano-6-methylanilino)acetate
CID 107106524
ethyl 2-[7-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]acetate bromide
CID 71552843
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570724
ethyl 2-(4-cyanonaphthalen-1-yl)acetate
CID 72942952

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate (CID 66487502) is ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate is CCOC(=O)Cn1cc(C#N)c(=O)c2ccc(C)c(C)c21.
What is the InChIKey of ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate?
The InChIKey is WTMWDUSYHACBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-4-21-14(19)9-18-8-12(7-17)16(20)13-6-5-10(2)11(3)15(13)18/h5-6,8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate?
ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate has a molecular weight of 284.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-7,8-dimethyl-4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 66487502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).