6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

C21H14FN5 — CID 71612330

IUPAC6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESFc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C21H14FN5/c22-15-4-1-3-13(9-15)14-7-8-18-16(10-14)21(24-12-23-18)26-19-5-2-6-20-17(19)11-25-27-20/h1-12H,(H,25,27)(H,23,24,26)
InChIKeyNRQIJWIEEFFCNG-UHFFFAOYSA-N
MW355.38 g/mol
LogP5.06
Rot. Bonds3

About 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (PubChem CID 71612330) has the molecular formula C21H14FN5 and a molecular weight of 355.38 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
PubChem CID71612330
Molecular FormulaC21H14FN5
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC Name6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESFc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C21H14FN5/c22-15-4-1-3-13(9-15)14-7-8-18-16(10-14)21(24-12-23-18)26-19-5-2-6-20-17(19)11-25-27-20/h1-12H,(H,25,27)(H,23,24,26)
InChIKeyNRQIJWIEEFFCNG-UHFFFAOYSA-N
XLogP5.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.38
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine 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 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (CID 71612330) is 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is Fc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The InChIKey is NRQIJWIEEFFCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5/c22-15-4-1-3-13(9-15)14-7-8-18-16(10-14)21(24-12-23-18)26-19-5-2-6-20-17(19)11-25-27-20/h1-12H,(H,25,27)(H,23,24,26).
What are the key properties of 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine has a molecular weight of 355.38 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 71612330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).