2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol

C21H13F2N5O — CID 71610729

IUPAC2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol
SMILESOc1c(F)ccc(Nc2ncnc3ccc(-c4ccc5[nH]ncc5c4)cc23)c1F
InChIInChI=1S/C21H13F2N5O/c22-15-3-6-18(19(23)20(15)29)27-21-14-8-12(2-5-17(14)24-10-25-21)11-1-4-16-13(7-11)9-26-28-16/h1-10,29H,(H,26,28)(H,24,25,27)
InChIKeyXEVJFJCQCIMXTL-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.90
Rot. Bonds3

About 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol

2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol (PubChem CID 71610729) has the molecular formula C21H13F2N5O and a molecular weight of 389.37 g/mol. Its IUPAC name is 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol
PubChem CID71610729
Molecular FormulaC21H13F2N5O
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol
SMILESOc1c(F)ccc(Nc2ncnc3ccc(-c4ccc5[nH]ncc5c4)cc23)c1F
InChIInChI=1S/C21H13F2N5O/c22-15-3-6-18(19(23)20(15)29)27-21-14-8-12(2-5-17(14)24-10-25-21)11-1-4-16-13(7-11)9-26-28-16/h1-10,29H,(H,26,28)(H,24,25,27)
InChIKeyXEVJFJCQCIMXTL-UHFFFAOYSA-N
XLogP4.90
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol 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 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol (CID 71610729) is 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol is Oc1c(F)ccc(Nc2ncnc3ccc(-c4ccc5[nH]ncc5c4)cc23)c1F.
What is the InChIKey of 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol?
The InChIKey is XEVJFJCQCIMXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5O/c22-15-3-6-18(19(23)20(15)29)27-21-14-8-12(2-5-17(14)24-10-25-21)11-1-4-16-13(7-11)9-26-28-16/h1-10,29H,(H,26,28)(H,24,25,27).
What are the key properties of 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol?
2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol has a molecular weight of 389.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 71610729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).