3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol

C12H11Cl2NO2 — CID 171862802

IUPAC3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol
SMILESOC(CCl)C(O)c1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H11Cl2NO2/c13-6-11(16)12(17)7-1-2-8-9(14)3-4-15-10(8)5-7/h1-5,11-12,16-17H,6H2
InChIKeyDLUQHYRJAWOZGL-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.52
Rot. Bonds3

About 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol

3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol (PubChem CID 171862802) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol
PubChem CID171862802
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol
SMILESOC(CCl)C(O)c1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H11Cl2NO2/c13-6-11(16)12(17)7-1-2-8-9(14)3-4-15-10(8)5-7/h1-5,11-12,16-17H,6H2
InChIKeyDLUQHYRJAWOZGL-UHFFFAOYSA-N
XLogP2.52
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(4-chloroquinolin-7-yl)propane-1,2-diol
CID 171860751
3-chloro-1-(3-methyl-2H-indazol-6-yl)propane-1,2-diol
CID 171862235
1-(4-bromo-3-chlorophenyl)-3-chloropropane-1,2-diol
CID 171863117
4,7-dichloroquinoline
CID 6866
S-[4-(4-chloroquinolin-6-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171876651
3-chloro-1-[4-chloro-3-(hydroxymethyl)phenyl]propane-1,2-diol
CID 171861934
4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline
CID 22054612
7-(2-bromoethyl)-4-chloroquinoline
CID 174461037
7-(1,2-dihydroxy-3-sulfanylpropyl)-3H-quinazolin-4-one
CID 170820639
3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
CID 171863193
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol (CID 171862802) is 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol is OC(CCl)C(O)c1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol?
The InChIKey is DLUQHYRJAWOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-6-11(16)12(17)7-1-2-8-9(14)3-4-15-10(8)5-7/h1-5,11-12,16-17H,6H2.
What are the key properties of 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol?
3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol has a molecular weight of 272.13 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chloroquinolin-7-yl)propane-1,2-diol is sourced from PubChem (CID 171862802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).