2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate

C20H23N3O4 — CID 7529614

IUPAC2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(/C=N\Nc2ccccc2C(=O)[O-])cc1C[NH+]1CCOCC1
InChIInChI=1S/C20H23N3O4/c1-26-19-7-6-15(12-16(19)14-23-8-10-27-11-9-23)13-21-22-18-5-3-2-4-17(18)20(24)25/h2-7,12-13,22H,8-11,14H2,1H3,(H,24,25)/b21-13-
InChIKeyQQWZYGAOBDPCBL-BKUYFWCQSA-N
MW369.42 g/mol
LogP-0.08
Rot. Bonds7

About 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate

2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate (PubChem CID 7529614) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate
PubChem CID7529614
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(/C=N\Nc2ccccc2C(=O)[O-])cc1C[NH+]1CCOCC1
InChIInChI=1S/C20H23N3O4/c1-26-19-7-6-15(12-16(19)14-23-8-10-27-11-9-23)13-21-22-18-5-3-2-4-17(18)20(24)25/h2-7,12-13,22H,8-11,14H2,1H3,(H,24,25)/b21-13-
InChIKeyQQWZYGAOBDPCBL-BKUYFWCQSA-N
XLogP-0.08
TPSA87.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-0.08
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 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate with MolForge

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Related Compounds

N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 7335954
N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide
CID 7741045
2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate
CID 26667820
2-[(2E)-2-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 19578665
2-[2-[[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110841250
N-[4-[(E)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 8830158
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481568
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015637
[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]urea
CID 9017280
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidenehydrazine
CID 7441652
4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
CID 7741451

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate (CID 7529614) is 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate is COc1ccc(/C=N\Nc2ccccc2C(=O)[O-])cc1C[NH+]1CCOCC1.
What is the InChIKey of 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is QQWZYGAOBDPCBL-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-19-7-6-15(12-16(19)14-23-8-10-27-11-9-23)13-21-22-18-5-3-2-4-17(18)20(24)25/h2-7,12-13,22H,8-11,14H2,1H3,(H,24,25)/b21-13-.
What are the key properties of 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate?
2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 369.42 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7529614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).