3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one

C19H19FN2O3 — CID 111434672

IUPAC3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-5-7-17(8-6-15)25-12-16(23)11-21-10-14-9-13-3-1-2-4-18(13)22-19(14)24/h1-9,16,21,23H,10-12H2,(H,22,24)
InChIKeyGHIHZERRJWXNGO-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.20
Rot. Bonds7

About 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one

3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 111434672) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
PubChem CID111434672
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-5-7-17(8-6-15)25-12-16(23)11-21-10-14-9-13-3-1-2-4-18(13)22-19(14)24/h1-9,16,21,23H,10-12H2,(H,22,24)
InChIKeyGHIHZERRJWXNGO-UHFFFAOYSA-N
XLogP2.20
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132764881
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132948104
1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60632821
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 95582652
1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955427
3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619584
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one (CID 111434672) is 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is GHIHZERRJWXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-5-7-17(8-6-15)25-12-16(23)11-21-10-14-9-13-3-1-2-4-18(13)22-19(14)24/h1-9,16,21,23H,10-12H2,(H,22,24).
What are the key properties of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one?
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 342.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 111434672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).