N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C23H15Br2N3O2 — CID 4504170

IUPACN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H15Br2N3O2/c24-16-10-15(22(29)19(25)11-16)13-26-28-23(30)18-12-21(14-6-2-1-3-7-14)27-20-9-5-4-8-17(18)20/h1-13,29H,(H,28,30)
InChIKeyODCDORRUJXBWCS-UHFFFAOYSA-N
MW525.20 g/mol
LogP5.90
Rot. Bonds4

About N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 4504170) has the molecular formula C23H15Br2N3O2 and a molecular weight of 525.20 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID4504170
Molecular FormulaC23H15Br2N3O2
Molecular Weight525.20 g/mol
Exact Mass522.95
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H15Br2N3O2/c24-16-10-15(22(29)19(25)11-16)13-26-28-23(30)18-12-21(14-6-2-1-3-7-14)27-20-9-5-4-8-17(18)20/h1-13,29H,(H,28,30)
InChIKeyODCDORRUJXBWCS-UHFFFAOYSA-N
XLogP5.90
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.20
LogP ≤ 55.90
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-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126041307
2-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135923671
N-[(Z)-[3,5-dibromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126043013
N-[(Z)-[5-bromo-2-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036516
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135851245
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 4504170) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is ODCDORRUJXBWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2N3O2/c24-16-10-15(22(29)19(25)11-16)13-26-28-23(30)18-12-21(14-6-2-1-3-7-14)27-20-9-5-4-8-17(18)20/h1-13,29H,(H,28,30).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 525.20 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4504170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).