N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide

C22H22FN3O4 — CID 162671395

IUPACN-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide
SMILESO=C(CNC1CCOCC1)Nc1ccc(Oc2cc(=O)[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C22H22FN3O4/c23-17-11-15(25-22(28)13-24-14-7-9-29-10-8-14)5-6-19(17)30-20-12-21(27)26-18-4-2-1-3-16(18)20/h1-6,11-12,14,24H,7-10,13H2,(H,25,28)(H,26,27)
InChIKeyXFWOXZQHQREIGD-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.17
Rot. Bonds6

About N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide

N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide (PubChem CID 162671395) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide
PubChem CID162671395
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC NameN-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide
SMILESO=C(CNC1CCOCC1)Nc1ccc(Oc2cc(=O)[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C22H22FN3O4/c23-17-11-15(25-22(28)13-24-14-7-9-29-10-8-14)5-6-19(17)30-20-12-21(27)26-18-4-2-1-3-16(18)20/h1-6,11-12,14,24H,7-10,13H2,(H,25,28)(H,26,27)
InChIKeyXFWOXZQHQREIGD-UHFFFAOYSA-N
XLogP3.17
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 91643960
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide
CID 24815832
N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide
CID 80713616
2-(cyclopropylamino)-N-naphthalen-2-ylacetamide
CID 54917835
2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
CID 43627352
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573552
N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid
CID 143930565
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55666399
N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride
CID 90681698

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide?
The IUPAC name of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide (CID 162671395) is N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide.
What is the SMILES notation for N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide?
The canonical SMILES for N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide is O=C(CNC1CCOCC1)Nc1ccc(Oc2cc(=O)[nH]c3ccccc23)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide?
The InChIKey is XFWOXZQHQREIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c23-17-11-15(25-22(28)13-24-14-7-9-29-10-8-14)5-6-19(17)30-20-12-21(27)26-18-4-2-1-3-16(18)20/h1-6,11-12,14,24H,7-10,13H2,(H,25,28)(H,26,27).
What are the key properties of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide?
N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide has a molecular weight of 411.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-(oxan-4-ylamino)acetamide is sourced from PubChem (CID 162671395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).