2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

C23H19N3O3 — CID 6874987

IUPAC2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C23H19N3O3/c1-15-11-12-16(29-15)14-24-26-23(27)19-13-21(18-8-4-6-10-22(18)28-2)25-20-9-5-3-7-17(19)20/h3-14H,1-2H3,(H,26,27)/b24-14+
InChIKeyPYNASVKCSAYDFI-ZVHZXABRSA-N
MW385.42 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6874987) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID6874987
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C23H19N3O3/c1-15-11-12-16(29-15)14-24-26-23(27)19-13-21(18-8-4-6-10-22(18)28-2)25-20-9-5-3-7-17(19)20/h3-14H,1-2H3,(H,26,27)/b24-14+
InChIKeyPYNASVKCSAYDFI-ZVHZXABRSA-N
XLogP4.58
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (CID 6874987) is 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is PYNASVKCSAYDFI-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-11-12-16(29-15)14-24-26-23(27)19-13-21(18-8-4-6-10-22(18)28-2)25-20-9-5-3-7-17(19)20/h3-14H,1-2H3,(H,26,27)/b24-14+.
What are the key properties of 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6874987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).