2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide

C23H20FN5O2 — CID 71584543

IUPAC2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1F
InChIInChI=1S/C23H20FN5O2/c1-31-11-10-26-22(30)19-4-3-18(13-20(19)24)28-23-27-14-17-12-16(2-5-21(17)29-23)15-6-8-25-9-7-15/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyCLPCUQNASLZOAU-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.95
Rot. Bonds7

About 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide

2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (PubChem CID 71584543) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
PubChem CID71584543
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1F
InChIInChI=1S/C23H20FN5O2/c1-31-11-10-26-22(30)19-4-3-18(13-20(19)24)28-23-27-14-17-12-16(2-5-21(17)29-23)15-6-8-25-9-7-15/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyCLPCUQNASLZOAU-UHFFFAOYSA-N
XLogP3.95
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide 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 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (CID 71584543) is 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The InChIKey is CLPCUQNASLZOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-31-11-10-26-22(30)19-4-3-18(13-20(19)24)28-23-27-14-17-12-16(2-5-21(17)29-23)15-6-8-25-9-7-15/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 71584543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).