6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide

C18H22FN3O — CID 164633773

IUPAC6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C18H22FN3O/c1-13-4-2-3-8-22(13)9-7-20-18(23)15-10-14-11-16(19)5-6-17(14)21-12-15/h5-6,10-13H,2-4,7-9H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyIBUYLVIIRURYAW-ZDUSSCGKSA-N
MW315.39 g/mol
LogP2.98
Rot. Bonds4

About 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide

6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide (PubChem CID 164633773) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
PubChem CID164633773
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C18H22FN3O/c1-13-4-2-3-8-22(13)9-7-20-18(23)15-10-14-11-16(19)5-6-17(14)21-12-15/h5-6,10-13H,2-4,7-9H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyIBUYLVIIRURYAW-ZDUSSCGKSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
CID 75391136
2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
CID 110489772
2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
CID 22588120
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 47040952
2-N-(4-fluorophenyl)-5-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 92875795
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
6-hydrazinyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 62237824
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 53078208
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 95096718

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide (CID 164633773) is 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide is C[C@H]1CCCCN1CCNC(=O)c1cnc2ccc(F)cc2c1.
What is the InChIKey of 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide?
The InChIKey is IBUYLVIIRURYAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13-4-2-3-8-22(13)9-7-20-18(23)15-10-14-11-16(19)5-6-17(14)21-12-15/h5-6,10-13H,2-4,7-9H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide?
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 164633773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).