2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide

C20H18ClFN2O3 — CID 51190547

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ccc(Cl)c3cccnc23)cc1F
InChIInChI=1S/C20H18ClFN2O3/c1-24(11-13-5-7-17(26-2)16(22)10-13)19(25)12-27-18-8-6-15(21)14-4-3-9-23-20(14)18/h3-10H,11-12H2,1-2H3
InChIKeyKCVNGQHQFZETGN-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.07
Rot. Bonds6

About 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide

2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 51190547) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID51190547
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ccc(Cl)c3cccnc23)cc1F
InChIInChI=1S/C20H18ClFN2O3/c1-24(11-13-5-7-17(26-2)16(22)10-13)19(25)12-27-18-8-6-15(21)14-4-3-9-23-20(14)18/h3-10H,11-12H2,1-2H3
InChIKeyKCVNGQHQFZETGN-UHFFFAOYSA-N
XLogP4.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631
2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55824024
2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 43243799
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 55372413
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 78796591
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
CID 119657984
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 86907560

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide (CID 51190547) is 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)COc2ccc(Cl)c3cccnc23)cc1F.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is KCVNGQHQFZETGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c1-24(11-13-5-7-17(26-2)16(22)10-13)19(25)12-27-18-8-6-15(21)14-4-3-9-23-20(14)18/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 388.83 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 51190547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).