N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide

C23H19N3O4 — CID 135577198

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1O
InChIInChI=1S/C23H19N3O4/c1-2-29-22-12-15(9-10-20(22)27)14-24-26-23(28)17-13-19(21-8-5-11-30-21)25-18-7-4-3-6-16(17)18/h3-14,27H,2H2,1H3,(H,26,28)/b24-14+
InChIKeyFSQAQEGJLIMKAO-ZVHZXABRSA-N
MW401.42 g/mol
LogP4.36
Rot. Bonds6

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 135577198) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID135577198
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1O
InChIInChI=1S/C23H19N3O4/c1-2-29-22-12-15(9-10-20(22)27)14-24-26-23(28)17-13-19(21-8-5-11-30-21)25-18-7-4-3-6-16(17)18/h3-14,27H,2H2,1H3,(H,26,28)/b24-14+
InChIKeyFSQAQEGJLIMKAO-ZVHZXABRSA-N
XLogP4.36
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.36
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

2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 9214487
2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135801083
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135747838
2-(furan-2-yl)-N-[(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 2490689
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 838467
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046703
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 5455193
2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide
CID 137291848
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046719
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide (CID 135577198) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide is CCOc1cc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is FSQAQEGJLIMKAO-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-2-29-22-12-15(9-10-20(22)27)14-24-26-23(28)17-13-19(21-8-5-11-30-21)25-18-7-4-3-6-16(17)18/h3-14,27H,2H2,1H3,(H,26,28)/b24-14+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 4.36, 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-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 135577198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).