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

C22H17N3O4 — CID 9214487

IUPAC2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1O
InChIInChI=1S/C22H17N3O4/c1-28-21-9-8-14(11-19(21)26)13-23-25-22(27)16-12-18(20-7-4-10-29-20)24-17-6-3-2-5-15(16)17/h2-13,26H,1H3,(H,25,27)/b23-13-
InChIKeyRGCSCCVSYIOBAU-QRVIBDJDSA-N
MW387.40 g/mol
LogP3.97
Rot. Bonds5

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

2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 9214487) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID9214487
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1O
InChIInChI=1S/C22H17N3O4/c1-28-21-9-8-14(11-19(21)26)13-23-25-22(27)16-12-18(20-7-4-10-29-20)24-17-6-3-2-5-15(16)17/h2-13,26H,1H3,(H,25,27)/b23-13-
InChIKeyRGCSCCVSYIOBAU-QRVIBDJDSA-N
XLogP3.97
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 5455193
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135747838
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616
2-(furan-2-yl)-N-[(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 2490689
2-(2-hydroxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505035
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 9214487) is 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is COc1ccc(/C=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1O.
What is the InChIKey of 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is RGCSCCVSYIOBAU-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-28-21-9-8-14(11-19(21)26)13-23-25-22(27)16-12-18(20-7-4-10-29-20)24-17-6-3-2-5-15(16)17/h2-13,26H,1H3,(H,25,27)/b23-13-.
What are the key properties of 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 9214487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).