methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate

C17H20N2O3 — CID 163219074

IUPACmethyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate
SMILESCCn1nc(CC(=O)OC)c(=O)c2ccc(C3CCC3)cc21
InChIInChI=1S/C17H20N2O3/c1-3-19-15-9-12(11-5-4-6-11)7-8-13(15)17(21)14(18-19)10-16(20)22-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyGSDKAIXGLWPJMK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate

methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate (PubChem CID 163219074) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate
PubChem CID163219074
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate
SMILESCCn1nc(CC(=O)OC)c(=O)c2ccc(C3CCC3)cc21
InChIInChI=1S/C17H20N2O3/c1-3-19-15-9-12(11-5-4-6-11)7-8-13(15)17(21)14(18-19)10-16(20)22-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyGSDKAIXGLWPJMK-UHFFFAOYSA-N
XLogP2.40
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-ethyl-7-(2-fluoropropan-2-yl)-4-oxocinnolin-3-yl]acetate
CID 163219127
2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
CID 163218907
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960
1-ethyl-3-(hydroxymethyl)-[1,3]dioxolo[4,5-g]cinnolin-4-one
CID 90992924
2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid
CID 162363887
methyl 5-(4-cyclobutylphenyl)-4-oxopentanoate
CID 116506694
2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 163219141
methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate
CID 165142972
ethyl 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetate
CID 162363975
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
2-[1-ethyl-7-(2-fluoropropan-2-yl)-4-oxocinnolin-3-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 163219164

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate?
The IUPAC name of methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate (CID 163219074) is methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate?
The canonical SMILES for methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate is CCn1nc(CC(=O)OC)c(=O)c2ccc(C3CCC3)cc21.
What is the InChIKey of methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate?
The InChIKey is GSDKAIXGLWPJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-19-15-9-12(11-5-4-6-11)7-8-13(15)17(21)14(18-19)10-16(20)22-2/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate?
methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate has a molecular weight of 300.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate is sourced from PubChem (CID 163219074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).