6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one

C18H18FNO3 — CID 109403426

IUPAC6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(F)ccc1C(O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H18FNO3/c1-11-8-13(19)3-5-15(11)17(21)10-23-14-4-6-16-12(9-14)2-7-18(22)20-16/h3-6,8-9,17,21H,2,7,10H2,1H3,(H,20,22)
InChIKeyMOUOMDHTBMYKFH-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.13
Rot. Bonds4

About 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 109403426) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID109403426
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(F)ccc1C(O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H18FNO3/c1-11-8-13(19)3-5-15(11)17(21)10-23-14-4-6-16-12(9-14)2-7-18(22)20-16/h3-6,8-9,17,21H,2,7,10H2,1H3,(H,20,22)
InChIKeyMOUOMDHTBMYKFH-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412
methyl (2R)-2-(2,4-difluorophenyl)-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]acetate
CID 97247312
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 124570235
6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103074282
1-(4-fluoro-2-methylphenyl)-2-(3-nitrophenoxy)ethanol
CID 109413082
6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20540129
N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 71894484
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67250952
methyl 3-(4-fluorophenyl)-3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]propanoate
CID 55995306

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 109403426) is 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one is Cc1cc(F)ccc1C(O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MOUOMDHTBMYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-11-8-13(19)3-5-15(11)17(21)10-23-14-4-6-16-12(9-14)2-7-18(22)20-16/h3-6,8-9,17,21H,2,7,10H2,1H3,(H,20,22).
What are the key properties of 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 315.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 109403426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).