2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

C26H18FN5O — CID 71181166

IUPAC2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C26H18FN5O/c27-19-10-7-16(8-11-19)17-9-12-21-23(14-17)31-25(18-4-3-13-29-15-18)32-26(21)30-22-6-2-1-5-20(22)24(28)33/h1-15H,(H2,28,33)(H,30,31,32)
InChIKeyKFJYOOVWQICLGW-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.34
Rot. Bonds5

About 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (PubChem CID 71181166) has the molecular formula C26H18FN5O and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
PubChem CID71181166
Molecular FormulaC26H18FN5O
Molecular Weight435.46 g/mol
Exact Mass435.15
IUPAC Name2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C26H18FN5O/c27-19-10-7-16(8-11-19)17-9-12-21-23(14-17)31-25(18-4-3-13-29-15-18)32-26(21)30-22-6-2-1-5-20(22)24(28)33/h1-15H,(H2,28,33)(H,30,31,32)
InChIKeyKFJYOOVWQICLGW-UHFFFAOYSA-N
XLogP5.34
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (CID 71181166) is 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The InChIKey is KFJYOOVWQICLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5O/c27-19-10-7-16(8-11-19)17-9-12-21-23(14-17)31-25(18-4-3-13-29-15-18)32-26(21)30-22-6-2-1-5-20(22)24(28)33/h1-15H,(H2,28,33)(H,30,31,32).
What are the key properties of 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide has a molecular weight of 435.46 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 71181166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).