2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

C26H17F2N5O — CID 71181218

IUPAC2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C26H17F2N5O/c27-17-8-10-21(28)20(13-17)15-7-9-19-23(12-15)32-25(16-4-3-11-30-14-16)33-26(19)31-22-6-2-1-5-18(22)24(29)34/h1-14H,(H2,29,34)(H,31,32,33)
InChIKeyYYYHERPEMANDSH-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.48
Rot. Bonds5

About 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (PubChem CID 71181218) has the molecular formula C26H17F2N5O and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
PubChem CID71181218
Molecular FormulaC26H17F2N5O
Molecular Weight453.45 g/mol
Exact Mass453.14
IUPAC Name2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C26H17F2N5O/c27-17-8-10-21(28)20(13-17)15-7-9-19-23(12-15)32-25(16-4-3-11-30-14-16)33-26(19)31-22-6-2-1-5-18(22)24(29)34/h1-14H,(H2,29,34)(H,31,32,33)
InChIKeyYYYHERPEMANDSH-UHFFFAOYSA-N
XLogP5.48
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-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-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (CID 71181218) is 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3cc(F)ccc3F)ccc12.
What is the InChIKey of 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The InChIKey is YYYHERPEMANDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N5O/c27-17-8-10-21(28)20(13-17)15-7-9-19-23(12-15)32-25(16-4-3-11-30-14-16)33-26(19)31-22-6-2-1-5-18(22)24(29)34/h1-14H,(H2,29,34)(H,31,32,33).
What are the key properties of 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide has a molecular weight of 453.45 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2,5-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 71181218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).