N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C23H15N5O6 — CID 137150933

IUPACN-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H15N5O6/c29-22-20(27(31)32)10-14(11-21(22)28(33)34)13-24-26-23(30)17-12-19(15-6-2-1-3-7-15)25-18-9-5-4-8-16(17)18/h1-13,29H,(H,26,30)/b24-13-
InChIKeyHLTRVVZNLOTEEV-CFRMEGHHSA-N
MW457.40 g/mol
LogP4.19
Rot. Bonds6

About N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 137150933) has the molecular formula C23H15N5O6 and a molecular weight of 457.40 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID137150933
Molecular FormulaC23H15N5O6
Molecular Weight457.40 g/mol
Exact Mass457.10
IUPAC NameN-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H15N5O6/c29-22-20(27(31)32)10-14(11-21(22)28(33)34)13-24-26-23(30)17-12-19(15-6-2-1-3-7-15)25-18-9-5-4-8-16(17)18/h1-13,29H,(H,26,30)/b24-13-
InChIKeyHLTRVVZNLOTEEV-CFRMEGHHSA-N
XLogP4.19
TPSA160.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3469797
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 2337421
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078656
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 137150933) is N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C\c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is HLTRVVZNLOTEEV-CFRMEGHHSA-N. The full InChI is InChI=1S/C23H15N5O6/c29-22-20(27(31)32)10-14(11-21(22)28(33)34)13-24-26-23(30)17-12-19(15-6-2-1-3-7-15)25-18-9-5-4-8-16(17)18/h1-13,29H,(H,26,30)/b24-13-.
What are the key properties of N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 457.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 137150933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).