(9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine

C16H21N3O2 — CID 63386464

IUPAC(9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine
SMILESCC(C)(C)c1cc2cc3c(cc2nc1NN)OCCCO3
InChIInChI=1S/C16H21N3O2/c1-16(2,3)11-7-10-8-13-14(21-6-4-5-20-13)9-12(10)18-15(11)19-17/h7-9H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyWABNVXMUAULQKW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.98
Rot. Bonds1

About (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine

(9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine (PubChem CID 63386464) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine.

Molecular Properties

Compound Name(9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine
PubChem CID63386464
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine
SMILESCC(C)(C)c1cc2cc3c(cc2nc1NN)OCCCO3
InChIInChI=1S/C16H21N3O2/c1-16(2,3)11-7-10-8-13-14(21-6-4-5-20-13)9-12(10)18-15(11)19-17/h7-9H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyWABNVXMUAULQKW-UHFFFAOYSA-N
XLogP2.98
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.98
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 (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine?
The IUPAC name of (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine (CID 63386464) is (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine.
What is the SMILES notation for (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine?
The canonical SMILES for (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine is CC(C)(C)c1cc2cc3c(cc2nc1NN)OCCCO3.
What is the InChIKey of (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine?
The InChIKey is WABNVXMUAULQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)11-7-10-8-13-14(21-6-4-5-20-13)9-12(10)18-15(11)19-17/h7-9H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine?
(9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine has a molecular weight of 287.36 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-8-yl)hydrazine is sourced from PubChem (CID 63386464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).