2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid

C16H15FN2O3 — CID 138687677

IUPAC2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C16H15FN2O3/c17-11-1-2-14-13(9-11)12(3-6-18-14)10-4-7-19(8-5-10)15(20)16(21)22/h1-3,6,9-10H,4-5,7-8H2,(H,21,22)
InChIKeyCMWKCGWQSLYKFF-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.16
Rot. Bonds1

About 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid

2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid (PubChem CID 138687677) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
PubChem CID138687677
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C16H15FN2O3/c17-11-1-2-14-13(9-11)12(3-6-18-14)10-4-7-19(8-5-10)15(20)16(21)22/h1-3,6,9-10H,4-5,7-8H2,(H,21,22)
InChIKeyCMWKCGWQSLYKFF-UHFFFAOYSA-N
XLogP2.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]benzamide
CID 139295457
1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propane-1,2-dione
CID 157359002
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
CID 139429288
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-[5-[C-methyl-N-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-pyridinyl]-2-oxoacetamide
CID 155280244
N-(4-fluorophenyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]cyclobutane-1-carboxamide
CID 139408558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid (CID 138687677) is 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid is O=C(O)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid?
The InChIKey is CMWKCGWQSLYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-11-1-2-14-13(9-11)12(3-6-18-14)10-4-7-19(8-5-10)15(20)16(21)22/h1-3,6,9-10H,4-5,7-8H2,(H,21,22).
What are the key properties of 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid?
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid has a molecular weight of 302.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 138687677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).