7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one

C22H24FN3O — CID 42163166

IUPAC7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one
SMILESC[C@@H]1CCCCN1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O
InChIInChI=1S/C22H24FN3O/c1-16-4-2-3-11-25(16)15-19-12-18-5-6-20(23)13-21(18)26(22(19)27)14-17-7-9-24-10-8-17/h5-10,12-13,16H,2-4,11,14-15H2,1H3/t16-/m1/s1
InChIKeyUGDWZTDZFLLEBM-MRXNPFEDSA-N
MW365.45 g/mol
LogP3.96
Rot. Bonds4

About 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one

7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one (PubChem CID 42163166) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one
PubChem CID42163166
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one
SMILESC[C@@H]1CCCCN1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O
InChIInChI=1S/C22H24FN3O/c1-16-4-2-3-11-25(16)15-19-12-18-5-6-20(23)13-21(18)26(22(19)27)14-17-7-9-24-10-8-17/h5-10,12-13,16H,2-4,11,14-15H2,1H3/t16-/m1/s1
InChIKeyUGDWZTDZFLLEBM-MRXNPFEDSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
CID 176781027
1-[2-(2,5-difluorophenyl)ethyl]-2-methylpiperidine
CID 155721139
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339
methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate
CID 45175991
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
6-(4-fluorophenyl)-8-[[(2R)-2-methylpiperidin-1-yl]methyl]tetrazolo[1,5-a]pyridine
CID 95851986
2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine
CID 168590664

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one (CID 42163166) is 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one is C[C@@H]1CCCCN1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O.
What is the InChIKey of 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one?
The InChIKey is UGDWZTDZFLLEBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-16-4-2-3-11-25(16)15-19-12-18-5-6-20(23)13-21(18)26(22(19)27)14-17-7-9-24-10-8-17/h5-10,12-13,16H,2-4,11,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one?
7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one has a molecular weight of 365.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one is sourced from PubChem (CID 42163166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).