butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)

C24H22N4O6 — CID 139201243

IUPACbutanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)
SMILESO/N=C/c1ccnc2ccccc12.O/N=C/c1ccnc2ccccc12.O=C(O)CCC(=O)O
InChIInChI=1S/2C10H8N2O.C4H6O4/c2*13-12-7-8-5-6-11-10-4-2-1-3-9(8)10;5-3(6)1-2-4(7)8/h2*1-7,13H;1-2H2,(H,5,6)(H,7,8)/b2*12-7+;
InChIKeyVDJZOVQPHWFYGW-PZNGMHCYSA-N
MW462.46 g/mol
LogP4.02
Rot. Bonds5

About butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)

butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine) (PubChem CID 139201243) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine).

Molecular Properties

Compound Namebutanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)
PubChem CID139201243
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Namebutanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)
SMILESO/N=C/c1ccnc2ccccc12.O/N=C/c1ccnc2ccccc12.O=C(O)CCC(=O)O
InChIInChI=1S/2C10H8N2O.C4H6O4/c2*13-12-7-8-5-6-11-10-4-2-1-3-9(8)10;5-3(6)1-2-4(7)8/h2*1-7,13H;1-2H2,(H,5,6)(H,7,8)/b2*12-7+;
InChIKeyVDJZOVQPHWFYGW-PZNGMHCYSA-N
XLogP4.02
TPSA165.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)?
The IUPAC name of butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine) (CID 139201243) is butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine).
What is the SMILES notation for butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)?
The canonical SMILES for butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine) is O/N=C/c1ccnc2ccccc12.O/N=C/c1ccnc2ccccc12.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)?
The InChIKey is VDJZOVQPHWFYGW-PZNGMHCYSA-N. The full InChI is InChI=1S/2C10H8N2O.C4H6O4/c2*13-12-7-8-5-6-11-10-4-2-1-3-9(8)10;5-3(6)1-2-4(7)8/h2*1-7,13H;1-2H2,(H,5,6)(H,7,8)/b2*12-7+;.
What are the key properties of butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine)?
butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine) has a molecular weight of 462.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;bis((NE)-N-(quinolin-4-ylmethylidene)hydroxylamine) is sourced from PubChem (CID 139201243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).