6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one

C16H14FNO3 — CID 106530107

IUPAC6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3cc(F)cc(CO)c3)ccc2N1
InChIInChI=1S/C16H14FNO3/c17-12-5-10(9-19)6-14(8-12)21-13-2-3-15-11(7-13)1-4-16(20)18-15/h2-3,5-8,19H,1,4,9H2,(H,18,20)
InChIKeyLYLARALDFHVRHA-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.99
Rot. Bonds3

About 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one

6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106530107) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106530107
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3cc(F)cc(CO)c3)ccc2N1
InChIInChI=1S/C16H14FNO3/c17-12-5-10(9-19)6-14(8-12)21-13-2-3-15-11(7-13)1-4-16(20)18-15/h2-3,5-8,19H,1,4,9H2,(H,18,20)
InChIKeyLYLARALDFHVRHA-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 107275127
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-2-carboxylic acid
CID 43325986
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
2-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 81273879
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412
6-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 79081517

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one (CID 106530107) is 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3cc(F)cc(CO)c3)ccc2N1.
What is the InChIKey of 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LYLARALDFHVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-5-10(9-19)6-14(8-12)21-13-2-3-15-11(7-13)1-4-16(20)18-15/h2-3,5-8,19H,1,4,9H2,(H,18,20).
What are the key properties of 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106530107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).