(1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone

C33H25Cl6N3O3 — CID 162141915

IUPAC(1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone
SMILESCC(=O)c1cc2cccc(Cl)c2nc1Cl.CC(O)c1cc2cccc(Cl)c2nc1Cl.C[C@@H](O)c1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/2C11H9Cl2NO.C11H7Cl2NO/c3*1-6(15)8-5-7-3-2-4-9(12)10(7)14-11(8)13/h2*2-6,15H,1H3;2-5H,1H3/t6-;;/m1../s1
InChIKeyZKAOEGRJTOZXLZ-QYCVXMPOSA-N
MW724.30 g/mol
LogP10.93
Rot. Bonds3

About (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone

(1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone (PubChem CID 162141915) has the molecular formula C33H25Cl6N3O3 and a molecular weight of 724.30 g/mol. Its IUPAC name is (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone.

Molecular Properties

Compound Name(1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone
PubChem CID162141915
Molecular FormulaC33H25Cl6N3O3
Molecular Weight724.30 g/mol
Exact Mass721.00
IUPAC Name(1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone
SMILESCC(=O)c1cc2cccc(Cl)c2nc1Cl.CC(O)c1cc2cccc(Cl)c2nc1Cl.C[C@@H](O)c1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/2C11H9Cl2NO.C11H7Cl2NO/c3*1-6(15)8-5-7-3-2-4-9(12)10(7)14-11(8)13/h2*2-6,15H,1H3;2-5H,1H3/t6-;;/m1../s1
InChIKeyZKAOEGRJTOZXLZ-QYCVXMPOSA-N
XLogP10.93
TPSA96.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.30
LogP ≤ 510.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Chloro-2-methylquinoline-3-carboxylic acid
CID 46708498
3-[2-Chloro-8-fluoro-3-(1-hydroxyethyl)quinolin-6-yl]-1-(2-chloro-8-fluoroquinolin-3-yl)propan-1-one
CID 154469249
8-Chloro-2-[2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 159565850
8-Chloro-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinoline-3-carbaldehyde;[8-chloro-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 159957654
2,8-Dichloroquinoline-3-carboxylic acid
CID 24266066
4,8-Dichloro-2-ethylquinoline-3-carboxylic acid
CID 68497850
2-Chloro-6-methylquinoline-3-carboxylic acid;2-chloro-7-methylquinoline-3-carboxylic acid;2-chloroquinoline-3-carboxylic acid
CID 156070845
5-Chloro-2-(3-fluorophenyl)quinoline-3-carbaldehyde;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol
CID 157078864
8-Chloro-2-(2-fluorophenyl)quinoline-3-carbaldehyde;[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]methanol
CID 157357887
8-Chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol
CID 157394006
4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane
CID 157457138
bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
CID 158165096

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone?
The IUPAC name of (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone (CID 162141915) is (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone.
What is the SMILES notation for (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone?
The canonical SMILES for (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone is CC(=O)c1cc2cccc(Cl)c2nc1Cl.CC(O)c1cc2cccc(Cl)c2nc1Cl.C[C@@H](O)c1cc2cccc(Cl)c2nc1Cl.
What is the InChIKey of (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone?
The InChIKey is ZKAOEGRJTOZXLZ-QYCVXMPOSA-N. The full InChI is InChI=1S/2C11H9Cl2NO.C11H7Cl2NO/c3*1-6(15)8-5-7-3-2-4-9(12)10(7)14-11(8)13/h2*2-6,15H,1H3;2-5H,1H3/t6-;;/m1../s1.
What are the key properties of (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone?
(1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone has a molecular weight of 724.30 g/mol, XLogP of 10.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone is sourced from PubChem (CID 162141915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).