3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide

C15H19N3O3 — CID 122277487

IUPAC3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)NCCn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C15H19N3O3/c19-12-7-11(8-12)15(21)16-5-6-18-14(20)9-10-3-1-2-4-13(10)17-18/h9,11H,1-8H2,(H,16,21)
InChIKeyXXGMIYDSFUTCFD-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.22
Rot. Bonds4

About 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide

3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 122277487) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID122277487
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)NCCn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C15H19N3O3/c19-12-7-11(8-12)15(21)16-5-6-18-14(20)9-10-3-1-2-4-13(10)17-18/h9,11H,1-8H2,(H,16,21)
InChIKeyXXGMIYDSFUTCFD-UHFFFAOYSA-N
XLogP0.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide 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

N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]oxolane-3-carboxamide
CID 122280706
2,2,2-trifluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277358
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
1-(1-adamantyl)-3-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]urea
CID 122277592
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277144
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 122277383
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122277494

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide (CID 122277487) is 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide is O=C1CC(C(=O)NCCn2nc3c(cc2=O)CCCC3)C1.
What is the InChIKey of 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is XXGMIYDSFUTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-12-7-11(8-12)15(21)16-5-6-18-14(20)9-10-3-1-2-4-13(10)17-18/h9,11H,1-8H2,(H,16,21).
What are the key properties of 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide?
3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 122277487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).