3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol

C12H11Cl2NO3 — CID 171863193

IUPAC3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
SMILESOc1c(C(O)C(O)CCl)cc(Cl)c2cccnc12
InChIInChI=1S/C12H11Cl2NO3/c13-5-9(16)11(17)7-4-8(14)6-2-1-3-15-10(6)12(7)18/h1-4,9,11,16-18H,5H2
InChIKeyKNGRSWWQCXRYFG-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.23
Rot. Bonds3

About 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol

3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol (PubChem CID 171863193) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
PubChem CID171863193
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
SMILESOc1c(C(O)C(O)CCl)cc(Cl)c2cccnc12
InChIInChI=1S/C12H11Cl2NO3/c13-5-9(16)11(17)7-4-8(14)6-2-1-3-15-10(6)12(7)18/h1-4,9,11,16-18H,5H2
InChIKeyKNGRSWWQCXRYFG-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-azido-1-(5-chloro-8-hydroxyquinolin-7-yl)butane-1,2-diol
CID 171880625
S-[4-(5-chloro-8-hydroxyquinolin-7-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171877044
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
tert-butyl N-[3-(5-chloro-8-hydroxyquinolin-7-yl)-2,3-dihydroxypropyl]carbamate
CID 170833275
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol
CID 146026296
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
5-chloro-7-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7762088
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 4131766
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol (CID 171863193) is 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol is Oc1c(C(O)C(O)CCl)cc(Cl)c2cccnc12.
What is the InChIKey of 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol?
The InChIKey is KNGRSWWQCXRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c13-5-9(16)11(17)7-4-8(14)6-2-1-3-15-10(6)12(7)18/h1-4,9,11,16-18H,5H2.
What are the key properties of 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol?
3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol has a molecular weight of 288.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol is sourced from PubChem (CID 171863193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).