2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride

C17H14ClN3O2 — CID 56642957

IUPAC2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1N/N=C\c1ccnc2ccccc12
InChIInChI=1S/C17H13N3O2.ClH/c21-17(22)14-6-2-4-8-16(14)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15;/h1-11,20H,(H,21,22);1H/b19-11-;
InChIKeyWCBGRMQTJFLNBL-XHFAFUTOSA-N
MW327.77 g/mol
LogP3.80
Rot. Bonds4

About 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride

2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride (PubChem CID 56642957) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride
PubChem CID56642957
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1N/N=C\c1ccnc2ccccc12
InChIInChI=1S/C17H13N3O2.ClH/c21-17(22)14-6-2-4-8-16(14)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15;/h1-11,20H,(H,21,22);1H/b19-11-;
InChIKeyWCBGRMQTJFLNBL-XHFAFUTOSA-N
XLogP3.80
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride?
The IUPAC name of 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride (CID 56642957) is 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride.
What is the SMILES notation for 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride?
The canonical SMILES for 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride is Cl.O=C(O)c1ccccc1N/N=C\c1ccnc2ccccc12.
What is the InChIKey of 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride?
The InChIKey is WCBGRMQTJFLNBL-XHFAFUTOSA-N. The full InChI is InChI=1S/C17H13N3O2.ClH/c21-17(22)14-6-2-4-8-16(14)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15;/h1-11,20H,(H,21,22);1H/b19-11-;.
What are the key properties of 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride?
2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride has a molecular weight of 327.77 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid;hydrochloride is sourced from PubChem (CID 56642957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).