tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate

C22H30N4O4 — CID 3418737

IUPACtert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate
SMILESCOc1ccc2nc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc2c1
InChIInChI=1S/C22H30N4O4/c1-22(2,3)30-21(28)23-13-7-5-6-8-20(27)26-24-15-17-10-9-16-14-18(29-4)11-12-19(16)25-17/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,28)(H,26,27)
InChIKeyOVZQPDCTBLERMQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.78
Rot. Bonds9

About tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate

tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate (PubChem CID 3418737) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate
PubChem CID3418737
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Nametert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate
SMILESCOc1ccc2nc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc2c1
InChIInChI=1S/C22H30N4O4/c1-22(2,3)30-21(28)23-13-7-5-6-8-20(27)26-24-15-17-10-9-16-14-18(29-4)11-12-19(16)25-17/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,28)(H,26,27)
InChIKeyOVZQPDCTBLERMQ-UHFFFAOYSA-N
XLogP3.78
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate 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

tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 92506828
2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
CID 3724274
(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
CID 6889773
tert-butyl N-[6-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]hexyl]carbamate
CID 118612061
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
tert-butyl N-[6-oxo-6-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]carbamate
CID 6890797
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 98310557

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate?
The IUPAC name of tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate (CID 3418737) is tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate is COc1ccc2nc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc2c1.
What is the InChIKey of tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate?
The InChIKey is OVZQPDCTBLERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-22(2,3)30-21(28)23-13-7-5-6-8-20(27)26-24-15-17-10-9-16-14-18(29-4)11-12-19(16)25-17/h9-12,14-15H,5-8,13H2,1-4H3,(H,23,28)(H,26,27).
What are the key properties of tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate?
tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate has a molecular weight of 414.51 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate is sourced from PubChem (CID 3418737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).