N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide

C26H23FN2O3 — CID 146525084

IUPACN-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-n2cc(C)c(=O)c3ccccc32)c1
InChIInChI=1S/C26H23FN2O3/c1-15-11-19(27)12-16(2)26(15)32-24-10-9-20(28-18(4)30)13-23(24)29-14-17(3)25(31)21-7-5-6-8-22(21)29/h5-14H,1-4H3,(H,28,30)
InChIKeyIBWQGDJNMHQREU-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.81
Rot. Bonds4

About N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide

N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide (PubChem CID 146525084) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide
PubChem CID146525084
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC NameN-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-n2cc(C)c(=O)c3ccccc32)c1
InChIInChI=1S/C26H23FN2O3/c1-15-11-19(27)12-16(2)26(15)32-24-10-9-20(28-18(4)30)13-23(24)29-14-17(3)25(31)21-7-5-6-8-22(21)29/h5-14H,1-4H3,(H,28,30)
InChIKeyIBWQGDJNMHQREU-UHFFFAOYSA-N
XLogP5.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-nitrophenyl]-3-methylquinolin-4-one
CID 146524981
N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxothieno[3,2-b]pyridine-2-carboxamide
CID 146575719
N-[4-(2,6-dimethylphenoxy)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]acetamide
CID 166875630
3-chloro-1-[2-(2,6-difluoro-4-methylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]quinolin-4-one
CID 146576682
N-ethyl-1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 146575597
1-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-methoxy-5-methylpyridin-4-one
CID 146576118
N-[4-(2,6-dimethylphenoxy)-3-(7-oxo-6-prop-2-enoyl-1H-pyrrolo[3,2-b]pyridin-4-yl)phenyl]propanamide
CID 146575710
N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)phenyl]prop-2-enamide
CID 146575937
N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
CID 146525100
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945
N-(4-acetamidophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46301016
N-(3-acetamidophenyl)-1,2-dimethylindole-3-carboxamide
CID 110762600

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide (CID 146525084) is N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-n2cc(C)c(=O)c3ccccc32)c1.
What is the InChIKey of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide?
The InChIKey is IBWQGDJNMHQREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-15-11-19(27)12-16(2)26(15)32-24-10-9-20(28-18(4)30)13-23(24)29-14-17(3)25(31)21-7-5-6-8-22(21)29/h5-14H,1-4H3,(H,28,30).
What are the key properties of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide?
N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]acetamide is sourced from PubChem (CID 146525084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).