N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide

C24H18N4O5 — CID 136828013

IUPACN-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C24H18N4O5/c1-15(25-26-23(30)16-11-13-18(14-12-16)28(32)33)21-22(29)19-9-5-6-10-20(19)27(24(21)31)17-7-3-2-4-8-17/h2-14,29H,1H3,(H,26,30)/b25-15-
InChIKeyYANZJGHBWYYVSX-MYYYXRDXSA-N
MW442.43 g/mol
LogP3.76
Rot. Bonds5

About N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide

N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide (PubChem CID 136828013) has the molecular formula C24H18N4O5 and a molecular weight of 442.43 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
PubChem CID136828013
Molecular FormulaC24H18N4O5
Molecular Weight442.43 g/mol
Exact Mass442.13
IUPAC NameN-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C24H18N4O5/c1-15(25-26-23(30)16-11-13-18(14-12-16)28(32)33)21-22(29)19-9-5-6-10-20(19)27(24(21)31)17-7-3-2-4-8-17/h2-14,29H,1H3,(H,26,30)/b25-15-
InChIKeyYANZJGHBWYYVSX-MYYYXRDXSA-N
XLogP3.76
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135525034
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one
CID 135454223
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide
CID 135411764
N-[(E)-1-[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-4-nitrobenzamide
CID 137035235
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide (CID 136828013) is N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide is C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide?
The InChIKey is YANZJGHBWYYVSX-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H18N4O5/c1-15(25-26-23(30)16-11-13-18(14-12-16)28(32)33)21-22(29)19-9-5-6-10-20(19)27(24(21)31)17-7-3-2-4-8-17/h2-14,29H,1H3,(H,26,30)/b25-15-.
What are the key properties of N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide?
N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide has a molecular weight of 442.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 136828013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).