(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine

C12H14ClN3O — CID 62251551

IUPAC(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine
SMILESCOc1ccc(Cl)c2nc(C)c(C)c(NN)c12
InChIInChI=1S/C12H14ClN3O/c1-6-7(2)15-12-8(13)4-5-9(17-3)10(12)11(6)16-14/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyAKXVKJYEBIJXOL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.80
Rot. Bonds2

About (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine

(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine (PubChem CID 62251551) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine
PubChem CID62251551
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine
SMILESCOc1ccc(Cl)c2nc(C)c(C)c(NN)c12
InChIInChI=1S/C12H14ClN3O/c1-6-7(2)15-12-8(13)4-5-9(17-3)10(12)11(6)16-14/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyAKXVKJYEBIJXOL-UHFFFAOYSA-N
XLogP2.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-methoxy-2-methylphenyl)hydrazine
CID 176780668
(5,8-dichloro-3-ethyl-2-methylquinolin-4-yl)hydrazine
CID 63483882
(8-chloro-5-methoxyquinolin-4-yl)hydrazine
CID 62250113
8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744590
(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 63483898
8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
CID 84628644
4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline
CID 63744411
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 63481445
4-chloro-5,8-dimethoxy-2-methyl-3-propan-2-ylquinoline
CID 55186942
(8-fluoro-2,3,5-trimethylquinolin-4-yl)hydrazine
CID 62252075
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865

Frequently Asked Questions

What is the IUPAC name of (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine?
The IUPAC name of (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine (CID 62251551) is (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine.
What is the SMILES notation for (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine?
The canonical SMILES for (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine is COc1ccc(Cl)c2nc(C)c(C)c(NN)c12.
What is the InChIKey of (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine?
The InChIKey is AKXVKJYEBIJXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-6-7(2)15-12-8(13)4-5-9(17-3)10(12)11(6)16-14/h4-5H,14H2,1-3H3,(H,15,16).
What are the key properties of (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine?
(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine has a molecular weight of 251.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62251551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).