N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide

C23H17N5O3 — CID 135785158

IUPACN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
SMILESO=[N+]([O-])c1ccc(O)c(/C=N\N/C(=N/c2ccccc2)c2ccc3ccccc3n2)c1
InChIInChI=1S/C23H17N5O3/c29-22-13-11-19(28(30)31)14-17(22)15-24-27-23(25-18-7-2-1-3-8-18)21-12-10-16-6-4-5-9-20(16)26-21/h1-15,29H,(H,25,27)/b24-15-
InChIKeyDNYWFIFVRROKQR-IWIPYMOSSA-N
MW411.42 g/mol
LogP4.55
Rot. Bonds5

About N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide

N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide (PubChem CID 135785158) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
PubChem CID135785158
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
SMILESO=[N+]([O-])c1ccc(O)c(/C=N\N/C(=N/c2ccccc2)c2ccc3ccccc3n2)c1
InChIInChI=1S/C23H17N5O3/c29-22-13-11-19(28(30)31)14-17(22)15-24-27-23(25-18-7-2-1-3-8-18)21-12-10-16-6-4-5-9-20(16)26-21/h1-15,29H,(H,25,27)/b24-15-
InChIKeyDNYWFIFVRROKQR-IWIPYMOSSA-N
XLogP4.55
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120502
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-N'-(2,6-dibromo-4-methylphenyl)quinoline-2-carboximidamide
CID 135602601
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide
CID 135602491
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 6032239
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylethanethioamide
CID 137061565
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide (CID 135785158) is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide is O=[N+]([O-])c1ccc(O)c(/C=N\N/C(=N/c2ccccc2)c2ccc3ccccc3n2)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
The InChIKey is DNYWFIFVRROKQR-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-22-13-11-19(28(30)31)14-17(22)15-24-27-23(25-18-7-2-1-3-8-18)21-12-10-16-6-4-5-9-20(16)26-21/h1-15,29H,(H,25,27)/b24-15-.
What are the key properties of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide has a molecular weight of 411.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide is sourced from PubChem (CID 135785158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).