ethyl 2-(acridin-3-ylhydrazinylidene)propanoate

C18H17N3O2 — CID 23267688

IUPACethyl 2-(acridin-3-ylhydrazinylidene)propanoate
SMILESCCOC(=O)C(C)=NNc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C18H17N3O2/c1-3-23-18(22)12(2)20-21-15-9-8-14-10-13-6-4-5-7-16(13)19-17(14)11-15/h4-11,21H,3H2,1-2H3
InChIKeyMPHMDTMYNHXHHR-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.74
Rot. Bonds4

About ethyl 2-(acridin-3-ylhydrazinylidene)propanoate

ethyl 2-(acridin-3-ylhydrazinylidene)propanoate (PubChem CID 23267688) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-(acridin-3-ylhydrazinylidene)propanoate.

Molecular Properties

Compound Nameethyl 2-(acridin-3-ylhydrazinylidene)propanoate
PubChem CID23267688
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Nameethyl 2-(acridin-3-ylhydrazinylidene)propanoate
SMILESCCOC(=O)C(C)=NNc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C18H17N3O2/c1-3-23-18(22)12(2)20-21-15-9-8-14-10-13-6-4-5-7-16(13)19-17(14)11-15/h4-11,21H,3H2,1-2H3
InChIKeyMPHMDTMYNHXHHR-UHFFFAOYSA-N
XLogP3.74
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl 1H-indole-2-carboxylate;ethyl (2Z)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 87843785
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
CID 59134931
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
CID 172554704
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
ethyl (2Z)-2-[[4-[(1S)-1-cyano-3-methyl-2-oxo-1-phenylbutyl]phenyl]hydrazinylidene]propanoate
CID 42108517
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
CID 18735268
ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
CID 87613195

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(acridin-3-ylhydrazinylidene)propanoate?
The IUPAC name of ethyl 2-(acridin-3-ylhydrazinylidene)propanoate (CID 23267688) is ethyl 2-(acridin-3-ylhydrazinylidene)propanoate.
What is the SMILES notation for ethyl 2-(acridin-3-ylhydrazinylidene)propanoate?
The canonical SMILES for ethyl 2-(acridin-3-ylhydrazinylidene)propanoate is CCOC(=O)C(C)=NNc1ccc2cc3ccccc3nc2c1.
What is the InChIKey of ethyl 2-(acridin-3-ylhydrazinylidene)propanoate?
The InChIKey is MPHMDTMYNHXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-23-18(22)12(2)20-21-15-9-8-14-10-13-6-4-5-7-16(13)19-17(14)11-15/h4-11,21H,3H2,1-2H3.
What are the key properties of ethyl 2-(acridin-3-ylhydrazinylidene)propanoate?
ethyl 2-(acridin-3-ylhydrazinylidene)propanoate has a molecular weight of 307.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(acridin-3-ylhydrazinylidene)propanoate is sourced from PubChem (CID 23267688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).