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

C23H18N4O2 — CID 135521469

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C23H18N4O2/c1-15(17-8-3-5-11-22(17)28)26-27-23(29)19-13-21(16-7-6-12-24-14-16)25-20-10-4-2-9-18(19)20/h2-14,28H,1H3,(H,27,29)/b26-15+
InChIKeyZTXOENHTMNWVAG-CVKSISIWSA-N
MW382.42 g/mol
LogP4.16
Rot. Bonds4

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

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 135521469) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID135521469
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C23H18N4O2/c1-15(17-8-3-5-11-22(17)28)26-27-23(29)19-13-21(16-7-6-12-24-14-16)25-20-10-4-2-9-18(19)20/h2-14,28H,1H3,(H,27,29)/b26-15+
InChIKeyZTXOENHTMNWVAG-CVKSISIWSA-N
XLogP4.16
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.16
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'}

Analyze N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 135521469) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is ZTXOENHTMNWVAG-CVKSISIWSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15(17-8-3-5-11-22(17)28)26-27-23(29)19-13-21(16-7-6-12-24-14-16)25-20-10-4-2-9-18(19)20/h2-14,28H,1H3,(H,27,29)/b26-15+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.16, 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-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 135521469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).