tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate

C15H21N3O2 — CID 168530055

IUPACtert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cccc(C=NN)c21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-9-5-8-11-6-4-7-12(10-17-16)13(11)18/h4,6-7,10H,5,8-9,16H2,1-3H3
InChIKeyKIZXLMAAOCWRCI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.67
Rot. Bonds1

About tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 168530055) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID168530055
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cccc(C=NN)c21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-9-5-8-11-6-4-7-12(10-17-16)13(11)18/h4,6-7,10H,5,8-9,16H2,1-3H3
InChIKeyKIZXLMAAOCWRCI-UHFFFAOYSA-N
XLogP2.67
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 7-formyl-2,3-dihydroindole-1-carboxylate
CID 1481360
tert-butyl 8-(3-methoxy-3-oxoprop-1-enyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 68523765
tert-butyl 8-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83904337
tert-butyl 8-cyano-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83445612
tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate
CID 168654459
tert-butyl 7-(nitrosomethyl)-2,3-dihydroindole-1-carboxylate
CID 89152421
tert-butyl 8-[(2-methylbutan-2-ylamino)methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 113256679
tert-butyl 7-(ethylaminomethyl)-2,3-dihydroindole-1-carboxylate
CID 80502179
tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate
CID 169370615
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
tert-butyl 8-[[(3-methylcyclobutyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 113467134
tert-butyl 7-[(2-cyanoacetyl)amino]-2,3-dihydroindole-1-carboxylate
CID 168520980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 168530055) is tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CCCc2cccc(C=NN)c21.
What is the InChIKey of tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is KIZXLMAAOCWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-9-5-8-11-6-4-7-12(10-17-16)13(11)18/h4,6-7,10H,5,8-9,16H2,1-3H3.
What are the key properties of tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-methanehydrazonoyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 168530055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).