2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide

C22H15FN6O — CID 20626267

IUPAC2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide
SMILESNC(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1
InChIInChI=1S/C22H15FN6O/c23-12-9-10-18-16(11-12)22(29-28-18)27-21-15-7-3-4-8-17(15)25-20(26-21)14-6-2-1-5-13(14)19(24)30/h1-11H,(H2,24,30)(H2,25,26,27,28,29)
InChIKeySBGQCVZAHOHMHV-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.15
Rot. Bonds4

About 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide

2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide (PubChem CID 20626267) has the molecular formula C22H15FN6O and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide
PubChem CID20626267
Molecular FormulaC22H15FN6O
Molecular Weight398.40 g/mol
Exact Mass398.13
IUPAC Name2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide
SMILESNC(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1
InChIInChI=1S/C22H15FN6O/c23-12-9-10-18-16(11-12)22(29-28-18)27-21-15-7-3-4-8-17(15)25-20(26-21)14-6-2-1-5-13(14)19(24)30/h1-11H,(H2,24,30)(H2,25,26,27,28,29)
InChIKeySBGQCVZAHOHMHV-UHFFFAOYSA-N
XLogP4.15
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide?
The IUPAC name of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide (CID 20626267) is 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide.
What is the SMILES notation for 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide?
The canonical SMILES for 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide is NC(=O)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.
What is the InChIKey of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide?
The InChIKey is SBGQCVZAHOHMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O/c23-12-9-10-18-16(11-12)22(29-28-18)27-21-15-7-3-4-8-17(15)25-20(26-21)14-6-2-1-5-13(14)19(24)30/h1-11H,(H2,24,30)(H2,25,26,27,28,29).
What are the key properties of 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide?
2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide has a molecular weight of 398.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzamide is sourced from PubChem (CID 20626267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).