6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide

C18H22FN3O2 — CID 75391136

IUPAC6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCOCCN1CCCC(NC(=O)c2cnc3ccc(F)cc3c2)C1
InChIInChI=1S/C18H22FN3O2/c1-24-8-7-22-6-2-3-16(12-22)21-18(23)14-9-13-10-15(19)4-5-17(13)20-11-14/h4-5,9-11,16H,2-3,6-8,12H2,1H3,(H,21,23)
InChIKeyFCOPCDHLACLHJM-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.21
Rot. Bonds5

About 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide

6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 75391136) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
PubChem CID75391136
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCOCCN1CCCC(NC(=O)c2cnc3ccc(F)cc3c2)C1
InChIInChI=1S/C18H22FN3O2/c1-24-8-7-22-6-2-3-16(12-22)21-18(23)14-9-13-10-15(19)4-5-17(13)20-11-14/h4-5,9-11,16H,2-3,6-8,12H2,1H3,(H,21,23)
InChIKeyFCOPCDHLACLHJM-UHFFFAOYSA-N
XLogP2.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
CID 164633773
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea
CID 97062909
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
6-fluoroquinoline-3-carbohydrazide
CID 119026646
1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171995331
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
3-fluoro-4-[2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]benzoic acid
CID 170458985
3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide
CID 96547519

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide (CID 75391136) is 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide is COCCN1CCCC(NC(=O)c2cnc3ccc(F)cc3c2)C1.
What is the InChIKey of 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is FCOPCDHLACLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-24-8-7-22-6-2-3-16(12-22)21-18(23)14-9-13-10-15(19)4-5-17(13)20-11-14/h4-5,9-11,16H,2-3,6-8,12H2,1H3,(H,21,23).
What are the key properties of 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide?
6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 75391136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).