N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C24H21N3O4 — CID 5432429

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1
InChIInChI=1S/C24H21N3O4/c1-15-8-10-23(31-15)21-13-19(18-6-4-5-7-20(18)26-21)24(28)27-25-14-16-12-17(29-2)9-11-22(16)30-3/h4-14H,1-3H3,(H,27,28)/b25-14-
InChIKeyPHJGADOWCUPDAB-QFEZKATASA-N
MW415.45 g/mol
LogP4.58
Rot. Bonds6

About N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 5432429) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID5432429
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1
InChIInChI=1S/C24H21N3O4/c1-15-8-10-23(31-15)21-13-19(18-6-4-5-7-20(18)26-21)24(28)27-25-14-16-12-17(29-2)9-11-22(16)30-3/h4-14H,1-3H3,(H,27,28)/b25-14-
InChIKeyPHJGADOWCUPDAB-QFEZKATASA-N
XLogP4.58
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
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-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 5455193
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 6875795
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 135781971
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 9214487
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 5432429) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is COc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is PHJGADOWCUPDAB-QFEZKATASA-N. The full InChI is InChI=1S/C24H21N3O4/c1-15-8-10-23(31-15)21-13-19(18-6-4-5-7-20(18)26-21)24(28)27-25-14-16-12-17(29-2)9-11-22(16)30-3/h4-14H,1-3H3,(H,27,28)/b25-14-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 5432429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).