N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

C24H20N4O2 — CID 135815935

IUPACN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cc(C)ccc1O
InChIInChI=1S/C24H20N4O2/c1-15-10-11-23(29)18(13-15)16(2)27-28-24(30)19-14-22(21-9-5-6-12-25-21)26-20-8-4-3-7-17(19)20/h3-14,29H,1-2H3,(H,28,30)/b27-16+
InChIKeyFCTBCRQXMSAWLA-JVWAILMASA-N
MW396.45 g/mol
LogP4.46
Rot. Bonds4

About N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 135815935) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID135815935
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cc(C)ccc1O
InChIInChI=1S/C24H20N4O2/c1-15-10-11-23(29)18(13-15)16(2)27-28-24(30)19-14-22(21-9-5-6-12-25-21)26-20-8-4-3-7-17(19)20/h3-14,29H,1-2H3,(H,28,30)/b27-16+
InChIKeyFCTBCRQXMSAWLA-JVWAILMASA-N
XLogP4.46
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.46
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

2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722852
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 135621528
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 135815935) is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cc(C)ccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is FCTBCRQXMSAWLA-JVWAILMASA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-10-11-23(29)18(13-15)16(2)27-28-24(30)19-14-22(21-9-5-6-12-25-21)26-20-8-4-3-7-17(19)20/h3-14,29H,1-2H3,(H,28,30)/b27-16+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 135815935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).