2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide

C23H15BrN4O3 — CID 2337421

IUPAC2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C23H15BrN4O3/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)26-22)23(29)27-25-14-15-4-3-5-18(12-15)28(30)31/h1-14H,(H,27,29)
InChIKeyIHDQNCUWRXXQBN-UHFFFAOYSA-N
MW475.30 g/mol
LogP5.34
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide

2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 2337421) has the molecular formula C23H15BrN4O3 and a molecular weight of 475.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID2337421
Molecular FormulaC23H15BrN4O3
Molecular Weight475.30 g/mol
Exact Mass474.03
IUPAC Name2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C23H15BrN4O3/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)26-22)23(29)27-25-14-15-4-3-5-18(12-15)28(30)31/h1-14H,(H,27,29)
InChIKeyIHDQNCUWRXXQBN-UHFFFAOYSA-N
XLogP5.34
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.30
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 6884339
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 137150933
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2348277
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide (CID 2337421) is 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide is O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is IHDQNCUWRXXQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN4O3/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)26-22)23(29)27-25-14-15-4-3-5-18(12-15)28(30)31/h1-14H,(H,27,29).
What are the key properties of 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 475.30 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 2337421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).