6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide

C18H22FN3O3 — CID 74232291

IUPAC6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCCC(CO)C1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H22FN3O3/c19-13-3-4-16-14(8-13)17(24)15(9-21-16)18(25)20-5-7-22-6-1-2-12(10-22)11-23/h3-4,8-9,12,23H,1-2,5-7,10-11H2,(H,20,25)(H,21,24)
InChIKeyMJUOBRVWLXRRPL-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.10
Rot. Bonds5

About 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide

6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 74232291) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID74232291
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCCC(CO)C1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H22FN3O3/c19-13-3-4-16-14(8-13)17(24)15(9-21-16)18(25)20-5-7-22-6-1-2-12(10-22)11-23/h3-4,8-9,12,23H,1-2,5-7,10-11H2,(H,20,25)(H,21,24)
InChIKeyMJUOBRVWLXRRPL-UHFFFAOYSA-N
XLogP1.10
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-methoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95207704
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 74241302
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
4-(3-fluorophenyl)-N-[3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 124754991
4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 91841476
1-(2,3-difluorophenyl)-3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118761885
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 74232291) is 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NCCN1CCCC(CO)C1)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MJUOBRVWLXRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-13-3-4-16-14(8-13)17(24)15(9-21-16)18(25)20-5-7-22-6-1-2-12(10-22)11-23/h3-4,8-9,12,23H,1-2,5-7,10-11H2,(H,20,25)(H,21,24).
What are the key properties of 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide?
6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 74232291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).