N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C23H18N4O3 — CID 135521467

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C23H18N4O3/c1-14(17-9-8-16(28)11-22(17)29)26-27-23(30)19-12-21(15-5-4-10-24-13-15)25-20-7-3-2-6-18(19)20/h2-13,28-29H,1H3,(H,27,30)/b26-14+
InChIKeyCEZFJYJQIFRFBR-VULFUBBASA-N
MW398.42 g/mol
LogP3.86
Rot. Bonds4

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 135521467) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID135521467
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C23H18N4O3/c1-14(17-9-8-16(28)11-22(17)29)26-27-23(30)19-12-21(15-5-4-10-24-13-15)25-20-7-3-2-6-18(19)20/h2-13,28-29H,1H3,(H,27,30)/b26-14+
InChIKeyCEZFJYJQIFRFBR-VULFUBBASA-N
XLogP3.86
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
2-hydroxy-N-[(E)-quinolin-4-ylmethylideneamino]benzamide
CID 6891142
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239
N'-(2,4-dihydroxybenzylidene)-2-ethyl-4-quinolinecarbohydrazide
CID 135457689
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6880179
N'-[(1E)-(4-hydroxyphenyl)methylene]-2-phenylquinoline-4-carbohydrazide
CID 135501377
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 243847
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6882669
N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 7661741
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9660246
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 9660914
2-(4-methoxyphenyl)-N-[(E)-3-pyridylmethyleneamino]cinchoninamide
CID 25237207

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 135521467) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is CEZFJYJQIFRFBR-VULFUBBASA-N. The full InChI is InChI=1S/C23H18N4O3/c1-14(17-9-8-16(28)11-22(17)29)26-27-23(30)19-12-21(15-5-4-10-24-13-15)25-20-7-3-2-6-18(19)20/h2-13,28-29H,1H3,(H,27,30)/b26-14+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 135521467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).