2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide

C18H19FN2O3 — CID 167933188

IUPAC2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
SMILESNC(=O)COc1cccc2c1CCCN2Cc1ccc(O)c(F)c1
InChIInChI=1S/C18H19FN2O3/c19-14-9-12(6-7-16(14)22)10-21-8-2-3-13-15(21)4-1-5-17(13)24-11-18(20)23/h1,4-7,9,22H,2-3,8,10-11H2,(H2,20,23)
InChIKeyFOPYODQFNXREQP-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.35
Rot. Bonds5

About 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide

2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide (PubChem CID 167933188) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
PubChem CID167933188
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
SMILESNC(=O)COc1cccc2c1CCCN2Cc1ccc(O)c(F)c1
InChIInChI=1S/C18H19FN2O3/c19-14-9-12(6-7-16(14)22)10-21-8-2-3-13-15(21)4-1-5-17(13)24-11-18(20)23/h1,4-7,9,22H,2-3,8,10-11H2,(H2,20,23)
InChIKeyFOPYODQFNXREQP-UHFFFAOYSA-N
XLogP2.35
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The IUPAC name of 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide (CID 167933188) is 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide.
What is the SMILES notation for 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The canonical SMILES for 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide is NC(=O)COc1cccc2c1CCCN2Cc1ccc(O)c(F)c1.
What is the InChIKey of 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The InChIKey is FOPYODQFNXREQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-14-9-12(6-7-16(14)22)10-21-8-2-3-13-15(21)4-1-5-17(13)24-11-18(20)23/h1,4-7,9,22H,2-3,8,10-11H2,(H2,20,23).
What are the key properties of 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide has a molecular weight of 330.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide is sourced from PubChem (CID 167933188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).