2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide

C19H22FN5O — CID 133316669

IUPAC2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1
InChIInChI=1S/C19H22FN5O/c1-3-22-17(26)12-24-4-6-25(7-5-24)19-14(10-21)11-23-18-13(2)8-15(20)9-16(18)19/h8-9,11H,3-7,12H2,1-2H3,(H,22,26)
InChIKeyLDHVOHNWTSSVQZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.81
Rot. Bonds4

About 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide

2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 133316669) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
PubChem CID133316669
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1
InChIInChI=1S/C19H22FN5O/c1-3-22-17(26)12-24-4-6-25(7-5-24)19-14(10-21)11-23-18-13(2)8-15(20)9-16(18)19/h8-9,11H,3-7,12H2,1-2H3,(H,22,26)
InChIKeyLDHVOHNWTSSVQZ-UHFFFAOYSA-N
XLogP1.81
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133306197
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
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-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133310198
6-fluoro-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316583
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 133310621
4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-6,8-dimethylquinoline-3-carbonitrile
CID 133310643
methyl 2-(3-cyano-6-fluoro-8-methylquinolin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133450272
6-fluoro-8-methyl-4-(3-methylsulfanylazepan-1-yl)quinoline-3-carbonitrile
CID 133395040
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide (CID 133316669) is 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1.
What is the InChIKey of 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is LDHVOHNWTSSVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-3-22-17(26)12-24-4-6-25(7-5-24)19-14(10-21)11-23-18-13(2)8-15(20)9-16(18)19/h8-9,11H,3-7,12H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 355.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 133316669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).