(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone

C19H14BrClN2O2 — CID 122250314

IUPAC(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H14BrClN2O2/c20-13-6-7-16(21)15(9-13)19(24)23-10-14(11-23)25-18-8-5-12-3-1-2-4-17(12)22-18/h1-9,14H,10-11H2
InChIKeyAWFLJNIGSPHRQJ-UHFFFAOYSA-N
MW417.69 g/mol
LogP4.55
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122250314) has the molecular formula C19H14BrClN2O2 and a molecular weight of 417.69 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
PubChem CID122250314
Molecular FormulaC19H14BrClN2O2
Molecular Weight417.69 g/mol
Exact Mass415.99
IUPAC Name(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H14BrClN2O2/c20-13-6-7-16(21)15(9-13)19(24)23-10-14(11-23)25-18-8-5-12-3-1-2-4-17(12)22-18/h1-9,14H,10-11H2
InChIKeyAWFLJNIGSPHRQJ-UHFFFAOYSA-N
XLogP4.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.69
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627581
1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250187
N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250579
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate
CID 122250271
(3-quinolin-2-yloxyazetidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122250188

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone (CID 122250314) is (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is AWFLJNIGSPHRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O2/c20-13-6-7-16(21)15(9-13)19(24)23-10-14(11-23)25-18-8-5-12-3-1-2-4-17(12)22-18/h1-9,14H,10-11H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 417.69 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122250314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).