1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide

C17H20FN3O2 — CID 91828547

IUPAC1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C17H20FN3O2/c1-19-17(23)14-7-2-3-8-21(14)10-11-9-15(22)12-5-4-6-13(18)16(12)20-11/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyVOFRZTRFTVZBRB-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.77
Rot. Bonds3

About 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide

1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 91828547) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID91828547
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C17H20FN3O2/c1-19-17(23)14-7-2-3-8-21(14)10-11-9-15(22)12-5-4-6-13(18)16(12)20-11/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyVOFRZTRFTVZBRB-UHFFFAOYSA-N
XLogP1.77
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
8-fluoro-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 124906846
1-[(3-carbamothioyl-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 107115446
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021
(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 99928674
(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 91838589
1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103760645
5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 72929932

Frequently Asked Questions

What is the IUPAC name of 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 91828547) is 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cc(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is VOFRZTRFTVZBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-19-17(23)14-7-2-3-8-21(14)10-11-9-15(22)12-5-4-6-13(18)16(12)20-11/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 91828547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).