2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid

C17H20N2O3 — CID 163218907

IUPAC2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
SMILESCC(C)n1nc(CC(=O)O)c(=O)c2ccc(C3CCC3)cc21
InChIInChI=1S/C17H20N2O3/c1-10(2)19-15-8-12(11-4-3-5-11)6-7-13(15)17(22)14(18-19)9-16(20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21)
InChIKeySCGZQJCOHTXAGO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.87
Rot. Bonds4

About 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid

2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid (PubChem CID 163218907) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
PubChem CID163218907
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
SMILESCC(C)n1nc(CC(=O)O)c(=O)c2ccc(C3CCC3)cc21
InChIInChI=1S/C17H20N2O3/c1-10(2)19-15-8-12(11-4-3-5-11)6-7-13(15)17(22)14(18-19)9-16(20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21)
InChIKeySCGZQJCOHTXAGO-UHFFFAOYSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate
CID 163219074
2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid
CID 162363887
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
CID 163219078
N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
CID 163219185
2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 162364321
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-(2-bromo-5-cyclopropylphenyl)acetic acid
CID 68804800
3-methyl-1-propan-2-ylindazole-6-carboxylic acid
CID 84724341
2-[3,4-dichloro-6-(4,4-dimethylcyclohexyl)-9-oxoacridin-10-yl]acetic acid
CID 138658416
2-(2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 121214446
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
4-bromo-5-cyclobutyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 116858369

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid?
The IUPAC name of 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid (CID 163218907) is 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid?
The canonical SMILES for 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid is CC(C)n1nc(CC(=O)O)c(=O)c2ccc(C3CCC3)cc21.
What is the InChIKey of 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid?
The InChIKey is SCGZQJCOHTXAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10(2)19-15-8-12(11-4-3-5-11)6-7-13(15)17(22)14(18-19)9-16(20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid?
2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid has a molecular weight of 300.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclobutyl-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid is sourced from PubChem (CID 163218907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).