(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine

C16H21N3O — CID 63482617

IUPAC(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
SMILESCCOc1cccc2c(NN)c3c(nc12)CCCCC3
InChIInChI=1S/C16H21N3O/c1-2-20-14-10-6-8-12-15(19-17)11-7-4-3-5-9-13(11)18-16(12)14/h6,8,10H,2-5,7,9,17H2,1H3,(H,18,19)
InChIKeyCCIXFCAWQZFQPA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.19
Rot. Bonds3

About (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine

(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine (PubChem CID 63482617) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine.

Molecular Properties

Compound Name(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
PubChem CID63482617
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
SMILESCCOc1cccc2c(NN)c3c(nc12)CCCCC3
InChIInChI=1S/C16H21N3O/c1-2-20-14-10-6-8-12-15(19-17)11-7-4-3-5-9-13(11)18-16(12)14/h6,8,10H,2-5,7,9,17H2,1H3,(H,18,19)
InChIKeyCCIXFCAWQZFQPA-UHFFFAOYSA-N
XLogP3.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The IUPAC name of (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine (CID 63482617) is (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine.
What is the SMILES notation for (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The canonical SMILES for (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine is CCOc1cccc2c(NN)c3c(nc12)CCCCC3.
What is the InChIKey of (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The InChIKey is CCIXFCAWQZFQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-14-10-6-8-12-15(19-17)11-7-4-3-5-9-13(11)18-16(12)14/h6,8,10H,2-5,7,9,17H2,1H3,(H,18,19).
What are the key properties of (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine has a molecular weight of 271.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine is sourced from PubChem (CID 63482617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).