ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate

C14H17N3O2 — CID 62250481

IUPACethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)ccc(C)c2c1NN
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)10-7-16-12-9(3)6-5-8(2)11(12)13(10)17-15/h5-7H,4,15H2,1-3H3,(H,16,17)
InChIKeyKFSNIYUMHURLIZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds3

About ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate

ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate (PubChem CID 62250481) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate
PubChem CID62250481
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)ccc(C)c2c1NN
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)10-7-16-12-9(3)6-5-8(2)11(12)13(10)17-15/h5-7H,4,15H2,1-3H3,(H,16,17)
InChIKeyKFSNIYUMHURLIZ-UHFFFAOYSA-N
XLogP2.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848
ethyl 6,8-dibromo-4-hydrazinyl-5-methoxyquinoline-3-carboxylate
CID 103416812
ethyl 4-chloro-5-iodo-8-methylquinoline-3-carboxylate
CID 114257610
ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 114261072
ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
CID 62252346
ethyl 8-methoxy-5-methyl-4-[(3-methylthiophen-2-yl)amino]quinoline-3-carboxylate phosphate
CID 20529032
ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
CID 2956986
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate (CID 62250481) is ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)ccc(C)c2c1NN.
What is the InChIKey of ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate?
The InChIKey is KFSNIYUMHURLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-14(18)10-7-16-12-9(3)6-5-8(2)11(12)13(10)17-15/h5-7H,4,15H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate?
ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinyl-5,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 62250481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).