3-(5-chloroquinolin-8-yl)oxyoxolan-2-one

C13H10ClNO3 — CID 71408844

IUPAC3-(5-chloroquinolin-8-yl)oxyoxolan-2-one
SMILESO=C1OCCC1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H10ClNO3/c14-9-3-4-10(12-8(9)2-1-6-15-12)18-11-5-7-17-13(11)16/h1-4,6,11H,5,7H2
InChIKeyHYYYXWSEQLRVRC-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.58
Rot. Bonds2

About 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one

3-(5-chloroquinolin-8-yl)oxyoxolan-2-one (PubChem CID 71408844) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one.

Molecular Properties

Compound Name3-(5-chloroquinolin-8-yl)oxyoxolan-2-one
PubChem CID71408844
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name3-(5-chloroquinolin-8-yl)oxyoxolan-2-one
SMILESO=C1OCCC1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H10ClNO3/c14-9-3-4-10(12-8(9)2-1-6-15-12)18-11-5-7-17-13(11)16/h1-4,6,11H,5,7H2
InChIKeyHYYYXWSEQLRVRC-UHFFFAOYSA-N
XLogP2.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 12945983
CID 12945983
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
(5-chloroquinolin-8-yl) morpholine-4-sulfonate
CID 11841630
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
(5-chloroquinolin-8-yl) methanesulfonate
CID 86302357
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
(5-chloroquinolin-8-yl) 3,4-dichlorobenzenesulfonate
CID 91669666
(3aR,5R,6R,7aS)-6-(5-chloroquinolin-8-yl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol;dihydrochloride
CID 172910910
methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride
CID 126969360
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
3-quinolin-2-yloxyoxolan-2-one
CID 142191915
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one?
The IUPAC name of 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one (CID 71408844) is 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one.
What is the SMILES notation for 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one?
The canonical SMILES for 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one is O=C1OCCC1Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one?
The InChIKey is HYYYXWSEQLRVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-9-3-4-10(12-8(9)2-1-6-15-12)18-11-5-7-17-13(11)16/h1-4,6,11H,5,7H2.
What are the key properties of 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one?
3-(5-chloroquinolin-8-yl)oxyoxolan-2-one has a molecular weight of 263.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroquinolin-8-yl)oxyoxolan-2-one is sourced from PubChem (CID 71408844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).