N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide

C23H17N5O2 — CID 156700846

IUPACN-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide
SMILESNc1ccccc1N(C(=O)c1ccnc2ccccc12)c1ncc(-c2ccco2)[nH]1
InChIInChI=1S/C23H17N5O2/c24-17-7-2-4-9-20(17)28(23-26-14-19(27-23)21-10-5-13-30-21)22(29)16-11-12-25-18-8-3-1-6-15(16)18/h1-14H,24H2,(H,26,27)
InChIKeyBYXOCEHVLDARGV-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.78
Rot. Bonds4

About N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide

N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide (PubChem CID 156700846) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide
PubChem CID156700846
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide
SMILESNc1ccccc1N(C(=O)c1ccnc2ccccc12)c1ncc(-c2ccco2)[nH]1
InChIInChI=1S/C23H17N5O2/c24-17-7-2-4-9-20(17)28(23-26-14-19(27-23)21-10-5-13-30-21)22(29)16-11-12-25-18-8-3-1-6-15(16)18/h1-14H,24H2,(H,26,27)
InChIKeyBYXOCEHVLDARGV-UHFFFAOYSA-N
XLogP4.78
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-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-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide (CID 156700846) is N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide is Nc1ccccc1N(C(=O)c1ccnc2ccccc12)c1ncc(-c2ccco2)[nH]1.
What is the InChIKey of N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide?
The InChIKey is BYXOCEHVLDARGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c24-17-7-2-4-9-20(17)28(23-26-14-19(27-23)21-10-5-13-30-21)22(29)16-11-12-25-18-8-3-1-6-15(16)18/h1-14H,24H2,(H,26,27).
What are the key properties of N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide?
N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 156700846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).