(1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine

C16H21N3O2 — CID 63351753

IUPAC(1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
SMILESCOc1cc(OC)c2c(NN)c3c(nc2c1)CCCCC3
InChIInChI=1S/C16H21N3O2/c1-20-10-8-13-15(14(9-10)21-2)16(19-17)11-6-4-3-5-7-12(11)18-13/h8-9H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyUJTNYHQTKCGJCI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds3

About (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine

(1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine (PubChem CID 63351753) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine.

Molecular Properties

Compound Name(1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
PubChem CID63351753
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
SMILESCOc1cc(OC)c2c(NN)c3c(nc2c1)CCCCC3
InChIInChI=1S/C16H21N3O2/c1-20-10-8-13-15(14(9-10)21-2)16(19-17)11-6-4-3-5-7-12(11)18-13/h8-9H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyUJTNYHQTKCGJCI-UHFFFAOYSA-N
XLogP2.81
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
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 (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The IUPAC name of (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine (CID 63351753) is (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine.
What is the SMILES notation for (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The canonical SMILES for (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine is COc1cc(OC)c2c(NN)c3c(nc2c1)CCCCC3.
What is the InChIKey of (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The InChIKey is UJTNYHQTKCGJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-10-8-13-15(14(9-10)21-2)16(19-17)11-6-4-3-5-7-12(11)18-13/h8-9H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
(1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine has a molecular weight of 287.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine is sourced from PubChem (CID 63351753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).