N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

C19H19FN2O3 — CID 111115296

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-8-5-14(6-9-15)17(23)11-21-18(24)12-22-16-4-2-1-3-13(16)7-10-19(22)25/h1-6,8-9,17,23H,7,10-12H2,(H,21,24)
InChIKeyXNBKWPPGCLMBMF-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 111115296) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID111115296
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-8-5-14(6-9-15)17(23)11-21-18(24)12-22-16-4-2-1-3-13(16)7-10-19(22)25/h1-6,8-9,17,23H,7,10-12H2,(H,21,24)
InChIKeyXNBKWPPGCLMBMF-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126458852
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933661
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 119527590
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 90534330
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 56764107
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
N-(2-hydroxyethyl)-2-(2-oxo-3H-indol-1-yl)acetamide
CID 43509738
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide;hydrochloride
CID 120889458

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (CID 111115296) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is O=C(CN1C(=O)CCc2ccccc21)NCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is XNBKWPPGCLMBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-8-5-14(6-9-15)17(23)11-21-18(24)12-22-16-4-2-1-3-13(16)7-10-19(22)25/h1-6,8-9,17,23H,7,10-12H2,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 342.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 111115296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).