4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline

C22H21Cl2N2O3+ — CID 159795048

IUPAC4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline
SMILESCOc1ccc2c(Cl)cc[n+](O)c2c1C.COc1ccc2c(Cl)ccnc2c1C
InChIInChI=1S/C11H11ClNO2.C11H10ClNO/c1-7-10(15-2)4-3-8-9(12)5-6-13(14)11(7)8;1-7-10(14-2)4-3-8-9(12)5-6-13-11(7)8/h3-6,14H,1-2H3;3-6H,1-2H3/q+1;
InChIKeyNJBDOMXKCKTXOK-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.54
Rot. Bonds2

About 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline

4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline (PubChem CID 159795048) has the molecular formula C22H21Cl2N2O3+ and a molecular weight of 432.33 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline.

Molecular Properties

Compound Name4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline
PubChem CID159795048
Molecular FormulaC22H21Cl2N2O3+
Molecular Weight432.33 g/mol
Exact Mass431.09
IUPAC Name4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline
SMILESCOc1ccc2c(Cl)cc[n+](O)c2c1C.COc1ccc2c(Cl)ccnc2c1C
InChIInChI=1S/C11H11ClNO2.C11H10ClNO/c1-7-10(15-2)4-3-8-9(12)5-6-13(14)11(7)8;1-7-10(14-2)4-3-8-9(12)5-6-13-11(7)8/h3-6,14H,1-2H3;3-6H,1-2H3/q+1;
InChIKeyNJBDOMXKCKTXOK-UHFFFAOYSA-N
XLogP5.54
TPSA55.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-chloro-7-methoxy-8-methylquinoline
CID 21101954
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
4,5-dichloro-8-methoxyquinoline
CID 43531957
4-methoxy-8-methylquinolin-7-ol
CID 143166925
ethane;N-ethyl-N-[(7-methoxy-8-methylquinolin-4-yl)methyl]propan-1-amine
CID 170587291
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
7-chloro-N-(2,4-dimethoxyphenyl)-8-methylquinolin-4-amine
CID 43860071
4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
CID 12065047
4-chloro-5-methoxyquinolin-8-amine
CID 19592989
8-chloro-4-methoxy-3-methyl-1,5-naphthyridine
CID 144929643
(4-chloroquinolin-8-yl) acetate
CID 175576508
4,9-dichloroquinolino[7,8-h]quinoline;palladium(2+);dichloride
CID 10162595

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline?
The IUPAC name of 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline (CID 159795048) is 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline.
What is the SMILES notation for 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline?
The canonical SMILES for 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline is COc1ccc2c(Cl)cc[n+](O)c2c1C.COc1ccc2c(Cl)ccnc2c1C.
What is the InChIKey of 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline?
The InChIKey is NJBDOMXKCKTXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClNO2.C11H10ClNO/c1-7-10(15-2)4-3-8-9(12)5-6-13(14)11(7)8;1-7-10(14-2)4-3-8-9(12)5-6-13-11(7)8/h3-6,14H,1-2H3;3-6H,1-2H3/q+1;.
What are the key properties of 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline?
4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline has a molecular weight of 432.33 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-7-methoxy-8-methylquinolin-1-ium;4-chloro-7-methoxy-8-methylquinoline is sourced from PubChem (CID 159795048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).