N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

C22H22ClN3O2 — CID 123774969

IUPACN-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc4cc(Cl)ccc4n3)C2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14(24-15(2)27)16-3-7-19(8-4-16)28-20-12-26(13-20)22-10-5-17-11-18(23)6-9-21(17)25-22/h3-11,14,20H,12-13H2,1-2H3,(H,24,27)
InChIKeyAAPALKSRCHGDKE-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.35
Rot. Bonds5

About N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123774969) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123774969
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc4cc(Cl)ccc4n3)C2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14(24-15(2)27)16-3-7-19(8-4-16)28-20-12-26(13-20)22-10-5-17-11-18(23)6-9-21(17)25-22/h3-11,14,20H,12-13H2,1-2H3,(H,24,27)
InChIKeyAAPALKSRCHGDKE-UHFFFAOYSA-N
XLogP4.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123428625
N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123780039
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[1-[4-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123691720
N-[1-[4-[1-(2-chloro-4-propoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123536154
N-[(1S)-1-[4-[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473406
N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315547
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
ethyl 2-[3-[4-(1-acetamidoethyl)phenoxy]azetidin-1-yl]pyrimidine-5-carboxylate
CID 123136125
N-[(1S)-1-[4-[(3R)-1-(3,5-difluoro-6-piperidin-1-yl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668973
N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315370
N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 163762683

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123774969) is N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OC2CN(c3ccc4cc(Cl)ccc4n3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is AAPALKSRCHGDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14(24-15(2)27)16-3-7-19(8-4-16)28-20-12-26(13-20)22-10-5-17-11-18(23)6-9-21(17)25-22/h3-11,14,20H,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123774969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).