5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol

C17H13Cl2NO2 — CID 68867026

IUPAC5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol
SMILESCOc1ccc(Cl)c2cc(O)c(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H13Cl2NO2/c1-22-16-7-6-13(19)12-9-15(21)14(20-17(12)16)8-10-2-4-11(18)5-3-10/h2-7,9,21H,8H2,1H3
InChIKeyOYINYULMQPEJBH-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.85
Rot. Bonds3

About 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol

5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol (PubChem CID 68867026) has the molecular formula C17H13Cl2NO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol
PubChem CID68867026
Molecular FormulaC17H13Cl2NO2
Molecular Weight334.20 g/mol
Exact Mass333.03
IUPAC Name5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol
SMILESCOc1ccc(Cl)c2cc(O)c(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H13Cl2NO2/c1-22-16-7-6-13(19)12-9-15(21)14(20-17(12)16)8-10-2-4-11(18)5-3-10/h2-7,9,21H,8H2,1H3
InChIKeyOYINYULMQPEJBH-UHFFFAOYSA-N
XLogP4.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol (CID 68867026) is 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol is COc1ccc(Cl)c2cc(O)c(Cc3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol?
The InChIKey is OYINYULMQPEJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2/c1-22-16-7-6-13(19)12-9-15(21)14(20-17(12)16)8-10-2-4-11(18)5-3-10/h2-7,9,21H,8H2,1H3.
What are the key properties of 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol?
5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol has a molecular weight of 334.20 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)methyl]-8-methoxyquinolin-3-ol is sourced from PubChem (CID 68867026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).