N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide

C17H15N3O2 — CID 6875825

IUPACN-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N/N=C/c3ccco3)cc2c1
InChIInChI=1S/C17H15N3O2/c1-11-5-6-16-13(8-11)9-15(12(2)19-16)17(21)20-18-10-14-4-3-7-22-14/h3-10H,1-2H3,(H,20,21)/b18-10+
InChIKeyZHTBYTOGZLZSFF-VCHYOVAHSA-N
MW293.33 g/mol
LogP3.21
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 6875825) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide
PubChem CID6875825
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N/N=C/c3ccco3)cc2c1
InChIInChI=1S/C17H15N3O2/c1-11-5-6-16-13(8-11)9-15(12(2)19-16)17(21)20-18-10-14-4-3-7-22-14/h3-10H,1-2H3,(H,20,21)/b18-10+
InChIKeyZHTBYTOGZLZSFF-VCHYOVAHSA-N
XLogP3.21
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide (CID 6875825) is N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccco3)cc2c1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is ZHTBYTOGZLZSFF-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-5-6-16-13(8-11)9-15(12(2)19-16)17(21)20-18-10-14-4-3-7-22-14/h3-10H,1-2H3,(H,20,21)/b18-10+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 6875825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).