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

C24H20N4O3 — CID 135510247

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1O
InChIInChI=1S/C24H20N4O3/c1-2-31-23-12-16(9-10-22(23)29)14-26-28-24(30)19-13-21(17-6-5-11-25-15-17)27-20-8-4-3-7-18(19)20/h3-15,29H,2H2,1H3,(H,28,30)/b26-14+
InChIKeyXVECQKMCZFPVPQ-VULFUBBASA-N
MW412.45 g/mol
LogP4.16
Rot. Bonds6

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

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 135510247) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID135510247
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1O
InChIInChI=1S/C24H20N4O3/c1-2-31-23-12-16(9-10-22(23)29)14-26-28-24(30)19-13-21(17-6-5-11-25-15-17)27-20-8-4-3-7-18(19)20/h3-15,29H,2H2,1H3,(H,28,30)/b26-14+
InChIKeyXVECQKMCZFPVPQ-VULFUBBASA-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_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

N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2642647
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
N'-(2-furylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9563619
N'-(2,3-dimethoxybenzylidene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 9617684
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594
N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide
CID 135642244
(E)-3-(3-hydroxy-4-methoxyphenyl)-2-methyl-1-quinolin-4-ylprop-2-en-1-one
CID 155516628
(E)-N'-(3-ethoxy-4-hydroxybenzylidene)-2-phenylquinoline-4-carbohydrazide
CID 135519152
12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
CID 5031375
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-methylquinoline-4-carbohydrazide
CID 6867021
N'-[(E)-(3-Hydroxy-4-methoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6868891
N'-(3-hydroxy-4-methoxybenzylidene)-2-(3-methylphenyl)-4-quinolinecarbohydrazide
CID 6873420

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 135510247) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is CCOc1cc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is XVECQKMCZFPVPQ-VULFUBBASA-N. The full InChI is InChI=1S/C24H20N4O3/c1-2-31-23-12-16(9-10-22(23)29)14-26-28-24(30)19-13-21(17-6-5-11-25-15-17)27-20-8-4-3-7-18(19)20/h3-15,29H,2H2,1H3,(H,28,30)/b26-14+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-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-4-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 135510247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).