N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

C24H20N4O3 — CID 135722845

IUPACN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1O
InChIInChI=1S/C24H20N4O3/c1-2-31-22-9-5-6-17(23(22)29)15-26-28-24(30)19-14-21(16-10-12-25-13-11-16)27-20-8-4-3-7-18(19)20/h3-15,29H,2H2,1H3,(H,28,30)/b26-15+
InChIKeyVOEINXBTLQFLFS-CVKSISIWSA-N
MW412.45 g/mol
LogP4.16
Rot. Bonds6

About N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 135722845) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID135722845
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1O
InChIInChI=1S/C24H20N4O3/c1-2-31-22-9-5-6-17(23(22)29)15-26-28-24(30)19-14-21(16-10-12-25-13-11-16)27-20-8-4-3-7-18(19)20/h3-15,29H,2H2,1H3,(H,28,30)/b26-15+
InChIKeyVOEINXBTLQFLFS-CVKSISIWSA-N
XLogP4.16
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126055611
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046703
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166229028
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3897385
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
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-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 135722845) is N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is VOEINXBTLQFLFS-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-2-31-22-9-5-6-17(23(22)29)15-26-28-24(30)19-14-21(16-10-12-25-13-11-16)27-20-8-4-3-7-18(19)20/h3-15,29H,2H2,1H3,(H,28,30)/b26-15+.
What are the key properties of N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 135722845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).