8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide

C20H24FN3O3 — CID 124906961

IUPAC8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C20H24FN3O3/c21-16-5-1-4-15-18(25)11-17(23-19(15)16)20(26)22-13-6-8-24(9-7-13)12-14-3-2-10-27-14/h1,4-5,11,13-14H,2-3,6-10,12H2,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyKXQZGZXIWPIEIV-AWEZNQCLSA-N
MW373.43 g/mol
LogP2.04
Rot. Bonds4

About 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide

8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide (PubChem CID 124906961) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide
PubChem CID124906961
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C20H24FN3O3/c21-16-5-1-4-15-18(25)11-17(23-19(15)16)20(26)22-13-6-8-24(9-7-13)12-14-3-2-10-27-14/h1,4-5,11,13-14H,2-3,6-10,12H2,(H,22,26)(H,23,25)/t14-/m0/s1
InChIKeyKXQZGZXIWPIEIV-AWEZNQCLSA-N
XLogP2.04
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide with MolForge

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Related Compounds

3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70729452
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one
CID 72933930
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172660412
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide (CID 124906961) is 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide is O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide?
The InChIKey is KXQZGZXIWPIEIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-16-5-1-4-15-18(25)11-17(23-19(15)16)20(26)22-13-6-8-24(9-7-13)12-14-3-2-10-27-14/h1,4-5,11,13-14H,2-3,6-10,12H2,(H,22,26)(H,23,25)/t14-/m0/s1.
What are the key properties of 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide?
8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide is sourced from PubChem (CID 124906961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).