6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile

C17H18FN3O — CID 133316889

IUPAC6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCC(CO)CC3)c(C#N)cnc12
InChIInChI=1S/C17H18FN3O/c1-11-6-14(18)7-15-16(11)20-9-13(8-19)17(15)21-4-2-12(10-22)3-5-21/h6-7,9,12,22H,2-5,10H2,1H3
InChIKeyFKRRPEJKDRRWDT-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.76
Rot. Bonds2

About 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile

6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile (PubChem CID 133316889) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
PubChem CID133316889
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCC(CO)CC3)c(C#N)cnc12
InChIInChI=1S/C17H18FN3O/c1-11-6-14(18)7-15-16(11)20-9-13(8-19)17(15)21-4-2-12(10-22)3-5-21/h6-7,9,12,22H,2-5,10H2,1H3
InChIKeyFKRRPEJKDRRWDT-UHFFFAOYSA-N
XLogP2.76
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
CID 133318098
6-fluoro-8-methyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 133317309
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 127358888
6-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133318000
4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133453787
6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133397912
2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 133316669
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 133310621
6-fluoro-8-methyl-4-(3-methylsulfanylazepan-1-yl)quinoline-3-carbonitrile
CID 133395040
6-fluoro-8-methyl-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]quinoline-3-carbonitrile
CID 133310553
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133386277
6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133310198

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile (CID 133316889) is 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile is Cc1cc(F)cc2c(N3CCC(CO)CC3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The InChIKey is FKRRPEJKDRRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-11-6-14(18)7-15-16(11)20-9-13(8-19)17(15)21-4-2-12(10-22)3-5-21/h6-7,9,12,22H,2-5,10H2,1H3.
What are the key properties of 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile has a molecular weight of 299.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 133316889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).