2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide

C26H23N3O4 — CID 135801083

IUPAC2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C\c2ccc(O)c(OC)c2)c2ccccc2n1
InChIInChI=1S/C26H23N3O4/c1-3-33-24-11-7-5-9-19(24)22-15-20(18-8-4-6-10-21(18)28-22)26(31)29-27-16-17-12-13-23(30)25(14-17)32-2/h4-16,30H,3H2,1-2H3,(H,29,31)/b27-16-
InChIKeyYKHGELXHBXRFIF-YUMHPJSZSA-N
MW441.49 g/mol
LogP4.78
Rot. Bonds7

About 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide

2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 135801083) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID135801083
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)N/N=C\c2ccc(O)c(OC)c2)c2ccccc2n1
InChIInChI=1S/C26H23N3O4/c1-3-33-24-11-7-5-9-19(24)22-15-20(18-8-4-6-10-21(18)28-22)26(31)29-27-16-17-12-13-23(30)25(14-17)32-2/h4-16,30H,3H2,1-2H3,(H,29,31)/b27-16-
InChIKeyYKHGELXHBXRFIF-YUMHPJSZSA-N
XLogP4.78
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.78
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-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135577198
3-(2-ethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4550121
2-(2-hydroxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505035
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046719
2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226438
2-(2-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5455023
ethyl 2-[2-methoxy-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126045980
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136700627
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
2-(2,4-dimethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6875005
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046703

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 135801083) is 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is CCOc1ccccc1-c1cc(C(=O)N/N=C\c2ccc(O)c(OC)c2)c2ccccc2n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is YKHGELXHBXRFIF-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-3-33-24-11-7-5-9-19(24)22-15-20(18-8-4-6-10-21(18)28-22)26(31)29-27-16-17-12-13-23(30)25(14-17)32-2/h4-16,30H,3H2,1-2H3,(H,29,31)/b27-16-.
What are the key properties of 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 135801083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).