tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate

C20H29N5O3 — CID 75366588

IUPACtert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C/C(=N\N)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H29N5O3/c1-20(2,3)28-19(27)25-10-8-24(9-11-25)13-17(23-21)15-4-6-16-14(12-15)5-7-18(26)22-16/h4,6,12H,5,7-11,13,21H2,1-3H3,(H,22,26)/b23-17+
InChIKeyJKVOGTOHTACBBN-HAVVHWLPSA-N
MW387.48 g/mol
LogP1.79
Rot. Bonds3

About tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate (PubChem CID 75366588) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
PubChem CID75366588
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Nametert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C/C(=N\N)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H29N5O3/c1-20(2,3)28-19(27)25-10-8-24(9-11-25)13-17(23-21)15-4-6-16-14(12-15)5-7-18(26)22-16/h4,6,12H,5,7-11,13,21H2,1-3H3,(H,22,26)/b23-17+
InChIKeyJKVOGTOHTACBBN-HAVVHWLPSA-N
XLogP1.79
TPSA100.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
CID 13136738
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
CID 13136739
6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline
CID 175363744
2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151766
tert-butyl 4-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]piperazine-1-carboxylate
CID 169084447
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
tert-butyl 11-chloro-2-oxo-3,4,6,7,9,10-hexahydro-1H-pyrido[2,3-h][3]benzazepine-8-carboxylate
CID 58495308
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812376
6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110804837

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate (CID 75366588) is tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C/C(=N\N)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is JKVOGTOHTACBBN-HAVVHWLPSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-20(2,3)28-19(27)25-10-8-24(9-11-25)13-17(23-21)15-4-6-16-14(12-15)5-7-18(26)22-16/h4,6,12H,5,7-11,13,21H2,1-3H3,(H,22,26)/b23-17+.
What are the key properties of tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 75366588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).