6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine

C32H28F2N4 — CID 118916031

IUPAC6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine
SMILESFc1ccc(C(c2ccc(F)cc2)c2ccc3ncnc(NC4CCN(c5ccccc5)CC4)c3c2)cc1
InChIInChI=1S/C32H28F2N4/c33-25-11-6-22(7-12-25)31(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)32(36-21-35-30)37-27-16-18-38(19-17-27)28-4-2-1-3-5-28/h1-15,20-21,27,31H,16-19H2,(H,35,36,37)
InChIKeyIIXQCCIWCVMFMA-UHFFFAOYSA-N
MW506.60 g/mol
LogP7.17
Rot. Bonds6

About 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine

6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 118916031) has the molecular formula C32H28F2N4 and a molecular weight of 506.60 g/mol. Its IUPAC name is 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine
PubChem CID118916031
Molecular FormulaC32H28F2N4
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine
SMILESFc1ccc(C(c2ccc(F)cc2)c2ccc3ncnc(NC4CCN(c5ccccc5)CC4)c3c2)cc1
InChIInChI=1S/C32H28F2N4/c33-25-11-6-22(7-12-25)31(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)32(36-21-35-30)37-27-16-18-38(19-17-27)28-4-2-1-3-5-28/h1-15,20-21,27,31H,16-19H2,(H,35,36,37)
InChIKeyIIXQCCIWCVMFMA-UHFFFAOYSA-N
XLogP7.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine (CID 118916031) is 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine is Fc1ccc(C(c2ccc(F)cc2)c2ccc3ncnc(NC4CCN(c5ccccc5)CC4)c3c2)cc1.
What is the InChIKey of 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is IIXQCCIWCVMFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4/c33-25-11-6-22(7-12-25)31(23-8-13-26(34)14-9-23)24-10-15-30-29(20-24)32(36-21-35-30)37-27-16-18-38(19-17-27)28-4-2-1-3-5-28/h1-15,20-21,27,31H,16-19H2,(H,35,36,37).
What are the key properties of 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine?
6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 506.60 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-fluorophenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 118916031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).