(6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine

C16H23N3O2 — CID 62251130

IUPAC(6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine
SMILESCCOc1cc2nc(C)c(CC)c(NN)c2cc1OCC
InChIInChI=1S/C16H23N3O2/c1-5-11-10(4)18-13-9-15(21-7-3)14(20-6-2)8-12(13)16(11)19-17/h8-9H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyXRLOVPXESAZNAK-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.19
Rot. Bonds6

About (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine

(6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine (PubChem CID 62251130) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine
PubChem CID62251130
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine
SMILESCCOc1cc2nc(C)c(CC)c(NN)c2cc1OCC
InChIInChI=1S/C16H23N3O2/c1-5-11-10(4)18-13-9-15(21-7-3)14(20-6-2)8-12(13)16(11)19-17/h8-9H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyXRLOVPXESAZNAK-UHFFFAOYSA-N
XLogP3.19
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine?
The IUPAC name of (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine (CID 62251130) is (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine.
What is the SMILES notation for (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine?
The canonical SMILES for (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine is CCOc1cc2nc(C)c(CC)c(NN)c2cc1OCC.
What is the InChIKey of (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine?
The InChIKey is XRLOVPXESAZNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-11-10(4)18-13-9-15(21-7-3)14(20-6-2)8-12(13)16(11)19-17/h8-9H,5-7,17H2,1-4H3,(H,18,19).
What are the key properties of (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine?
(6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine has a molecular weight of 289.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-diethoxy-3-ethyl-2-methylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62251130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).