N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide

C24H18N4O2 — CID 3722369

IUPACN-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide
SMILESO=C(NN=Cc1cnc2ccccc2c1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H18N4O2/c29-23(27-22-13-7-5-11-20(22)18-8-2-1-3-9-18)24(30)28-26-16-17-14-19-10-4-6-12-21(19)25-15-17/h1-16H,(H,27,29)(H,28,30)
InChIKeyOWWIROBAAUPEEB-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.99
Rot. Bonds4

About N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide

N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide (PubChem CID 3722369) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide
PubChem CID3722369
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide
SMILESO=C(NN=Cc1cnc2ccccc2c1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H18N4O2/c29-23(27-22-13-7-5-11-20(22)18-8-2-1-3-9-18)24(30)28-26-16-17-14-19-10-4-6-12-21(19)25-15-17/h1-16H,(H,27,29)(H,28,30)
InChIKeyOWWIROBAAUPEEB-UHFFFAOYSA-N
XLogP3.99
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 21352234
1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine
CID 127033481
N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 45055016
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide
CID 39353137
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
CID 154631892
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide?
The IUPAC name of N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide (CID 3722369) is N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide.
What is the SMILES notation for N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide?
The canonical SMILES for N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide is O=C(NN=Cc1cnc2ccccc2c1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide?
The InChIKey is OWWIROBAAUPEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-23(27-22-13-7-5-11-20(22)18-8-2-1-3-9-18)24(30)28-26-16-17-14-19-10-4-6-12-21(19)25-15-17/h1-16H,(H,27,29)(H,28,30).
What are the key properties of N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide?
N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide has a molecular weight of 394.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide is sourced from PubChem (CID 3722369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).