2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide

C21H21FN4O3 — CID 110238250

IUPAC2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
SMILESCCc1cc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)on1
InChIInChI=1S/C21H21FN4O3/c1-2-15-10-18(29-25-15)21(28)26-7-3-4-12(11-26)19-16(20(23)27)9-13-8-14(22)5-6-17(13)24-19/h5-6,8-10,12H,2-4,7,11H2,1H3,(H2,23,27)
InChIKeyJFIRJODOERFGLG-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.04
Rot. Bonds4

About 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide

2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide (PubChem CID 110238250) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
PubChem CID110238250
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
SMILESCCc1cc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)on1
InChIInChI=1S/C21H21FN4O3/c1-2-15-10-18(29-25-15)21(28)26-7-3-4-12(11-26)19-16(20(23)27)9-13-8-14(22)5-6-17(13)24-19/h5-6,8-10,12H,2-4,7,11H2,1H3,(H2,23,27)
InChIKeyJFIRJODOERFGLG-UHFFFAOYSA-N
XLogP3.04
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238135
6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238252
6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238278
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238201
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238288
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588632
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110103951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
The IUPAC name of 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide (CID 110238250) is 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
The canonical SMILES for 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide is CCc1cc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)on1.
What is the InChIKey of 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
The InChIKey is JFIRJODOERFGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-2-15-10-18(29-25-15)21(28)26-7-3-4-12(11-26)19-16(20(23)27)9-13-8-14(22)5-6-17(13)24-19/h5-6,8-10,12H,2-4,7,11H2,1H3,(H2,23,27).
What are the key properties of 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide?
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110238250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).