tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate

C19H24N4O4 — CID 92506828

IUPACtert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc2nc(/C=N\NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc2c1
InChIInChI=1S/C19H24N4O4/c1-12(21-18(25)27-19(2,3)4)17(24)23-20-11-14-7-6-13-10-15(26-5)8-9-16(13)22-14/h6-12H,1-5H3,(H,21,25)(H,23,24)/b20-11-/t12-/m1/s1
InChIKeyGHVIJXUCZKWOGA-WXYNYTDUSA-N
MW372.43 g/mol
LogP2.61
Rot. Bonds5

About tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate (PubChem CID 92506828) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
PubChem CID92506828
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nametert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc2nc(/C=N\NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc2c1
InChIInChI=1S/C19H24N4O4/c1-12(21-18(25)27-19(2,3)4)17(24)23-20-11-14-7-6-13-10-15(26-5)8-9-16(13)22-14/h6-12H,1-5H3,(H,21,25)(H,23,24)/b20-11-/t12-/m1/s1
InChIKeyGHVIJXUCZKWOGA-WXYNYTDUSA-N
XLogP2.61
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
CID 3724274
tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate
CID 3418737
(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
CID 6889773
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
CID 54345301
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
tert-butyl N-[(1E,2R)-1-hydroxyimino-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 90091374
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135679505
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
4-bromo-N-[1-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 71833539
3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
tert-butyl N-[(2S,3R)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 6585117

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate (CID 92506828) is tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate is COc1ccc2nc(/C=N\NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc2c1.
What is the InChIKey of tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is GHVIJXUCZKWOGA-WXYNYTDUSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-12(21-18(25)27-19(2,3)4)17(24)23-20-11-14-7-6-13-10-15(26-5)8-9-16(13)22-14/h6-12H,1-5H3,(H,21,25)(H,23,24)/b20-11-/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 92506828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).