N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

C22H15BrN4O2 — CID 2327312

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H15BrN4O2/c23-15-8-9-21(28)14(11-15)13-25-27-22(29)17-12-20(19-7-3-4-10-24-19)26-18-6-2-1-5-16(17)18/h1-13,28H,(H,27,29)
InChIKeyHLANZUXZVAANJS-UHFFFAOYSA-N
MW447.29 g/mol
LogP4.53
Rot. Bonds4

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2327312) has the molecular formula C22H15BrN4O2 and a molecular weight of 447.29 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2327312
Molecular FormulaC22H15BrN4O2
Molecular Weight447.29 g/mol
Exact Mass446.04
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H15BrN4O2/c23-15-8-9-21(28)14(11-15)13-25-27-22(29)17-12-20(19-7-3-4-10-24-19)26-18-6-2-1-5-16(17)18/h1-13,28H,(H,27,29)
InChIKeyHLANZUXZVAANJS-UHFFFAOYSA-N
XLogP4.53
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 135781971
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 2327312) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NN=Cc1cc(Br)ccc1O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is HLANZUXZVAANJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN4O2/c23-15-8-9-21(28)14(11-15)13-25-27-22(29)17-12-20(19-7-3-4-10-24-19)26-18-6-2-1-5-16(17)18/h1-13,28H,(H,27,29).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 447.29 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2327312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).