7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

C19H20FN3O2 — CID 42376947

IUPAC7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESC[C@H](O)CNCc1cc2ccc(F)cc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C19H20FN3O2/c1-13(24)10-21-11-15-8-14-5-6-16(20)9-18(14)23(19(15)25)12-17-4-2-3-7-22-17/h2-9,13,21,24H,10-12H2,1H3/t13-/m0/s1
InChIKeyNVKPWYOTXHYXJT-ZDUSSCGKSA-N
MW341.39 g/mol
LogP2.05
Rot. Bonds6

About 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 42376947) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID42376947
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESC[C@H](O)CNCc1cc2ccc(F)cc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C19H20FN3O2/c1-13(24)10-21-11-15-8-14-5-6-16(20)9-18(14)23(19(15)25)12-17-4-2-3-7-22-17/h2-9,13,21,24H,10-12H2,1H3/t13-/m0/s1
InChIKeyNVKPWYOTXHYXJT-ZDUSSCGKSA-N
XLogP2.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 42376947) is 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is C[C@H](O)CNCc1cc2ccc(F)cc2n(Cc2ccccn2)c1=O.
What is the InChIKey of 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is NVKPWYOTXHYXJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13(24)10-21-11-15-8-14-5-6-16(20)9-18(14)23(19(15)25)12-17-4-2-3-7-22-17/h2-9,13,21,24H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 42376947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).