2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid

C14H12Br2N2O3 — CID 107140830

IUPAC2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2c(Br)cc(Br)c3cccnc23)CNC1
InChIInChI=1S/C14H12Br2N2O3/c15-9-4-10(16)13(12-8(9)2-1-3-18-12)21-14(5-11(19)20)6-17-7-14/h1-4,17H,5-7H2,(H,19,20)
InChIKeyNMTVLMOCQVVIDP-UHFFFAOYSA-N
MW416.07 g/mol
LogP2.96
Rot. Bonds4

About 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid

2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid (PubChem CID 107140830) has the molecular formula C14H12Br2N2O3 and a molecular weight of 416.07 g/mol. Its IUPAC name is 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
PubChem CID107140830
Molecular FormulaC14H12Br2N2O3
Molecular Weight416.07 g/mol
Exact Mass413.92
IUPAC Name2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2c(Br)cc(Br)c3cccnc23)CNC1
InChIInChI=1S/C14H12Br2N2O3/c15-9-4-10(16)13(12-8(9)2-1-3-18-12)21-14(5-11(19)20)6-17-7-14/h1-4,17H,5-7H2,(H,19,20)
InChIKeyNMTVLMOCQVVIDP-UHFFFAOYSA-N
XLogP2.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.07
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
5,7-dibromo-8-methoxyquinoline
CID 10805403
2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
CID 107140804
(5,7-dibromoquinolin-8-yl) (1S,4S)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate
CID 27307308
(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011285
(2R)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011286
4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 17450632
5-bromo-8-fluoroquinoline-7-carboxylic acid
CID 171366048
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239
2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
CID 107140663
2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide
CID 63569614
2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
CID 107140981

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid (CID 107140830) is 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid is O=C(O)CC1(Oc2c(Br)cc(Br)c3cccnc23)CNC1.
What is the InChIKey of 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid?
The InChIKey is NMTVLMOCQVVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O3/c15-9-4-10(16)13(12-8(9)2-1-3-18-12)21-14(5-11(19)20)6-17-7-14/h1-4,17H,5-7H2,(H,19,20).
What are the key properties of 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid?
2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid has a molecular weight of 416.07 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid is sourced from PubChem (CID 107140830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).