6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile

C22H25FN4O — CID 133317309

IUPAC6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCC(CC(=O)N4CCCC4)CC3)c(C#N)cnc12
InChIInChI=1S/C22H25FN4O/c1-15-10-18(23)12-19-21(15)25-14-17(13-24)22(19)27-8-4-16(5-9-27)11-20(28)26-6-2-3-7-26/h10,12,14,16H,2-9,11H2,1H3
InChIKeyXESCRMYYPRUGCN-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.78
Rot. Bonds3

About 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile

6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 133317309) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID133317309
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCC(CC(=O)N4CCCC4)CC3)c(C#N)cnc12
InChIInChI=1S/C22H25FN4O/c1-15-10-18(23)12-19-21(15)25-14-17(13-24)22(19)27-8-4-16(5-9-27)11-20(28)26-6-2-3-7-26/h10,12,14,16H,2-9,11H2,1H3
InChIKeyXESCRMYYPRUGCN-UHFFFAOYSA-N
XLogP3.78
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile with MolForge

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Related Compounds

2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
CID 133318098
6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316889
6-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133318000
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 127358888
6-fluoro-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 133306222
2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 133316669
6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133310198
4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133453787
6-fluoro-8-methyl-4-(3-methylsulfanylazepan-1-yl)quinoline-3-carbonitrile
CID 133395040
6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133397912
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 133310621
N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133306197

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 133317309) is 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile is Cc1cc(F)cc2c(N3CCC(CC(=O)N4CCCC4)CC3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is XESCRMYYPRUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-15-10-18(23)12-19-21(15)25-14-17(13-24)22(19)27-8-4-16(5-9-27)11-20(28)26-6-2-3-7-26/h10,12,14,16H,2-9,11H2,1H3.
What are the key properties of 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile?
6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 380.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133317309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).