2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide

C28H27FN2O4 — CID 42877882

IUPAC2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc3c(C)cc(=O)n(Cc4ccccc4F)c3c2)cc1
InChIInChI=1S/C28H27FN2O4/c1-19-15-28(33)31(17-21-5-3-4-6-25(21)29)26-16-23(11-12-24(19)26)35-18-27(32)30-14-13-20-7-9-22(34-2)10-8-20/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,32)
InChIKeyUVKXXWIYMXKMMB-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.24
Rot. Bonds9

About 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 42877882) has the molecular formula C28H27FN2O4 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID42877882
Molecular FormulaC28H27FN2O4
Molecular Weight474.53 g/mol
Exact Mass474.20
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc3c(C)cc(=O)n(Cc4ccccc4F)c3c2)cc1
InChIInChI=1S/C28H27FN2O4/c1-19-15-28(33)31(17-21-5-3-4-6-25(21)29)26-16-23(11-12-24(19)26)35-18-27(32)30-14-13-20-7-9-22(34-2)10-8-20/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,32)
InChIKeyUVKXXWIYMXKMMB-UHFFFAOYSA-N
XLogP4.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 42877878
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
2-(1-ethyl-4-methyl-2-oxoquinolin-7-yl)oxy-N-phenylacetamide
CID 42690240
6-[(2-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109369561
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492510
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
CID 42877942

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 42877882) is 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc3c(C)cc(=O)n(Cc4ccccc4F)c3c2)cc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is UVKXXWIYMXKMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O4/c1-19-15-28(33)31(17-21-5-3-4-6-25(21)29)26-16-23(11-12-24(19)26)35-18-27(32)30-14-13-20-7-9-22(34-2)10-8-20/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,32).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 474.53 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42877882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).