4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate

C17H12N3O2- — CID 7732012

IUPAC4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2ccnc3ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c21-17(22)12-5-7-14(8-6-12)20-19-11-13-9-10-18-16-4-2-1-3-15(13)16/h1-11,20H,(H,21,22)/p-1/b19-11-
InChIKeyDXWGKCVPDCCDQP-ODLFYWEKSA-M
MW290.30 g/mol
LogP2.04
Rot. Bonds4

About 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate

4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate (PubChem CID 7732012) has the molecular formula C17H12N3O2- and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
PubChem CID7732012
Molecular FormulaC17H12N3O2-
Molecular Weight290.30 g/mol
Exact Mass290.09
IUPAC Name4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2ccnc3ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c21-17(22)12-5-7-14(8-6-12)20-19-11-13-9-10-18-16-4-2-1-3-15(13)16/h1-11,20H,(H,21,22)/p-1/b19-11-
InChIKeyDXWGKCVPDCCDQP-ODLFYWEKSA-M
XLogP2.04
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.04
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'}

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Related Compounds

2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 20846182
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
N-(quinolin-4-ylmethylideneamino)formamide
CID 73233132
4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate
CID 7066822
3-(furan-2-yl)-N-(quinolin-4-ylmethylideneamino)prop-2-enamide
CID 6734706
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177
4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 9012798
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
CID 8893950
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
2-(quinolin-4-ylmethylideneamino)oxyacetic acid
CID 77013302
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
CID 172709506

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate (CID 7732012) is 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate is O=C([O-])c1ccc(N/N=C\c2ccnc3ccccc23)cc1.
What is the InChIKey of 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate?
The InChIKey is DXWGKCVPDCCDQP-ODLFYWEKSA-M. The full InChI is InChI=1S/C17H13N3O2/c21-17(22)12-5-7-14(8-6-12)20-19-11-13-9-10-18-16-4-2-1-3-15(13)16/h1-11,20H,(H,21,22)/p-1/b19-11-.
What are the key properties of 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate?
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate has a molecular weight of 290.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate is sourced from PubChem (CID 7732012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).