ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate

C17H21NO5 — CID 50877332

IUPACethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(=O)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C17H21NO5/c1-4-21-15-9-12-13(10-16(15)22-5-2)18(8-7-14(12)19)11-17(20)23-6-3/h7-10H,4-6,11H2,1-3H3
InChIKeyHSIMEKSIWWUPQA-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.36
Rot. Bonds7

About ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate

ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate (PubChem CID 50877332) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
PubChem CID50877332
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(=O)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C17H21NO5/c1-4-21-15-9-12-13(10-16(15)22-5-2)18(8-7-14(12)19)11-17(20)23-6-3/h7-10H,4-6,11H2,1-3H3
InChIKeyHSIMEKSIWWUPQA-UHFFFAOYSA-N
XLogP2.36
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate
CID 54773108
2-(5,6-diethoxyindol-1-yl)acetic acid
CID 83944709
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
ethyl 2-(4-selanylidenequinolin-1-yl)acetate
CID 11109160
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate
CID 165392980
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669
3-(7-ethoxy-4-oxoquinolin-1-yl)propanamide
CID 66487379
ethyl 2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetate
CID 86719804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate (CID 50877332) is ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate is CCOC(=O)Cn1ccc(=O)c2cc(OCC)c(OCC)cc21.
What is the InChIKey of ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate?
The InChIKey is HSIMEKSIWWUPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-4-21-15-9-12-13(10-16(15)22-5-2)18(8-7-14(12)19)11-17(20)23-6-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate?
ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate has a molecular weight of 319.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 50877332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).