N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C23H16BrN3O2 — CID 135549826

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H16BrN3O2/c24-17-10-11-22(28)16(12-17)14-25-27-23(29)19-13-21(15-6-2-1-3-7-15)26-20-9-5-4-8-18(19)20/h1-14,28H,(H,27,29)/b25-14+
InChIKeyAHVWJQICZWPBAG-AFUMVMLFSA-N
MW446.30 g/mol
LogP5.13
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 135549826) has the molecular formula C23H16BrN3O2 and a molecular weight of 446.30 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID135549826
Molecular FormulaC23H16BrN3O2
Molecular Weight446.30 g/mol
Exact Mass445.04
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H16BrN3O2/c24-17-10-11-22(28)16(12-17)14-25-27-23(29)19-13-21(15-6-2-1-3-7-15)26-20-9-5-4-8-18(19)20/h1-14,28H,(H,27,29)/b25-14+
InChIKeyAHVWJQICZWPBAG-AFUMVMLFSA-N
XLogP5.13
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.30
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 135781971
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(Z)-[5-bromo-2-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036516
N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126041307
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 135549826) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is AHVWJQICZWPBAG-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H16BrN3O2/c24-17-10-11-22(28)16(12-17)14-25-27-23(29)19-13-21(15-6-2-1-3-7-15)26-20-9-5-4-8-18(19)20/h1-14,28H,(H,27,29)/b25-14+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 446.30 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 135549826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).