6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide

C23H26FN5O2 — CID 110238201

IUPAC6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1nccn1C(C)CC(=O)N1CCCC(c2nc3ccc(F)cc3cc2C(N)=O)C1
InChIInChI=1S/C23H26FN5O2/c1-14(29-9-7-26-15(29)2)10-21(30)28-8-3-4-16(13-28)22-19(23(25)31)12-17-11-18(24)5-6-20(17)27-22/h5-7,9,11-12,14,16H,3-4,8,10,13H2,1-2H3,(H2,25,31)
InChIKeyLXAHGAHMBAAJOG-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.34
Rot. Bonds5

About 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide

6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238201) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238201
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1nccn1C(C)CC(=O)N1CCCC(c2nc3ccc(F)cc3cc2C(N)=O)C1
InChIInChI=1S/C23H26FN5O2/c1-14(29-9-7-26-15(29)2)10-21(30)28-8-3-4-16(13-28)22-19(23(25)31)12-17-11-18(24)5-6-20(17)27-22/h5-7,9,11-12,14,16H,3-4,8,10,13H2,1-2H3,(H2,25,31)
InChIKeyLXAHGAHMBAAJOG-UHFFFAOYSA-N
XLogP3.34
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238135
6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238278
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238250
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238288
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238252
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
3-(2-methylimidazol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 82510754
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide (CID 110238201) is 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide is Cc1nccn1C(C)CC(=O)N1CCCC(c2nc3ccc(F)cc3cc2C(N)=O)C1.
What is the InChIKey of 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is LXAHGAHMBAAJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-14(29-9-7-26-15(29)2)10-21(30)28-8-3-4-16(13-28)22-19(23(25)31)12-17-11-18(24)5-6-20(17)27-22/h5-7,9,11-12,14,16H,3-4,8,10,13H2,1-2H3,(H2,25,31).
What are the key properties of 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide?
6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).