6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine

C26H26FN3O — CID 171350342

IUPAC6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine
SMILESCC(C)(C)Oc1ccc(-c2ccc(CCNc3ncnc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C26H26FN3O/c1-26(2,3)31-22-11-8-20(9-12-22)19-6-4-18(5-7-19)14-15-28-25-23-16-21(27)10-13-24(23)29-17-30-25/h4-13,16-17H,14-15H2,1-3H3,(H,28,29,30)
InChIKeyGONJUZARKGWYAZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP6.27
Rot. Bonds6

About 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine

6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine (PubChem CID 171350342) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine
PubChem CID171350342
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine
SMILESCC(C)(C)Oc1ccc(-c2ccc(CCNc3ncnc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C26H26FN3O/c1-26(2,3)31-22-11-8-20(9-12-22)19-6-4-18(5-7-19)14-15-28-25-23-16-21(27)10-13-24(23)29-17-30-25/h4-13,16-17H,14-15H2,1-3H3,(H,28,29,30)
InChIKeyGONJUZARKGWYAZ-UHFFFAOYSA-N
XLogP6.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]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-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine (CID 171350342) is 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine is CC(C)(C)Oc1ccc(-c2ccc(CCNc3ncnc4ccc(F)cc34)cc2)cc1.
What is the InChIKey of 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine?
The InChIKey is GONJUZARKGWYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c1-26(2,3)31-22-11-8-20(9-12-22)19-6-4-18(5-7-19)14-15-28-25-23-16-21(27)10-13-24(23)29-17-30-25/h4-13,16-17H,14-15H2,1-3H3,(H,28,29,30).
What are the key properties of 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine?
6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine has a molecular weight of 415.51 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 171350342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).