N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide

C22H22FN3O3 — CID 50830280

IUPACN-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-3-2-4-18(11-15)29-14-21(27)24-17-12-16-5-6-20(25-22(16)19(23)13-17)26-7-9-28-10-8-26/h2-6,11-13H,7-10,14H2,1H3,(H,24,27)
InChIKeyXUVKARFNICDAGH-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.54
Rot. Bonds5

About N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide

N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 50830280) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide
PubChem CID50830280
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-3-2-4-18(11-15)29-14-21(27)24-17-12-16-5-6-20(25-22(16)19(23)13-17)26-7-9-28-10-8-26/h2-6,11-13H,7-10,14H2,1H3,(H,24,27)
InChIKeyXUVKARFNICDAGH-UHFFFAOYSA-N
XLogP3.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11155432
N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11189610
2-(4-methoxyphenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440762
7-[[3-[(Dimethylamino)methyl]phenoxy]methyl]quinolin-2-Amine
CID 91971383
7-[[3-(Methylaminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971384
N-(4-methyl-2-(2-(piperidin-1-yl)ethylamino)quinolin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide
CID 44407944
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide
CID 4219491
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
1-(2-Ethoxyphenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 16023475
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-oxochromene-2-carboxamide
CID 44403736
(2E)-N-[2-(4-Ethylpiperazin-1-YL)-4-methylquinolin-6-YL]-3-(4-methoxyphenyl)prop-2-enamide
CID 44403742
(E)-N-{2-[(2-Hydroxy-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11201645

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide (CID 50830280) is N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)c1.
What is the InChIKey of N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is XUVKARFNICDAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-3-2-4-18(11-15)29-14-21(27)24-17-12-16-5-6-20(25-22(16)19(23)13-17)26-7-9-28-10-8-26/h2-6,11-13H,7-10,14H2,1H3,(H,24,27).
What are the key properties of N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide?
N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 395.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 50830280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).