4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol

C32H28Cl2N4O — CID 118916162

IUPAC4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(Nc3ncnc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1
InChIInChI=1S/C32H28Cl2N4O/c33-24-6-1-21(2-7-24)31(22-3-8-25(34)9-4-22)23-5-14-30-29(19-23)32(36-20-35-30)37-26-15-17-38(18-16-26)27-10-12-28(39)13-11-27/h1-14,19-20,26,31,39H,15-18H2,(H,35,36,37)
InChIKeyHLHRAMDNQWPOKV-UHFFFAOYSA-N
MW555.51 g/mol
LogP7.90
Rot. Bonds6

About 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol

4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol (PubChem CID 118916162) has the molecular formula C32H28Cl2N4O and a molecular weight of 555.51 g/mol. Its IUPAC name is 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol
PubChem CID118916162
Molecular FormulaC32H28Cl2N4O
Molecular Weight555.51 g/mol
Exact Mass554.16
IUPAC Name4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(Nc3ncnc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1
InChIInChI=1S/C32H28Cl2N4O/c33-24-6-1-21(2-7-24)31(22-3-8-25(34)9-4-22)23-5-14-30-29(19-23)32(36-20-35-30)37-26-15-17-38(18-16-26)27-10-12-28(39)13-11-27/h1-14,19-20,26,31,39H,15-18H2,(H,35,36,37)
InChIKeyHLHRAMDNQWPOKV-UHFFFAOYSA-N
XLogP7.90
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.51
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]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 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol?
The IUPAC name of 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol (CID 118916162) is 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol.
What is the SMILES notation for 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol?
The canonical SMILES for 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol is Oc1ccc(N2CCC(Nc3ncnc4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1.
What is the InChIKey of 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol?
The InChIKey is HLHRAMDNQWPOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2N4O/c33-24-6-1-21(2-7-24)31(22-3-8-25(34)9-4-22)23-5-14-30-29(19-23)32(36-20-35-30)37-26-15-17-38(18-16-26)27-10-12-28(39)13-11-27/h1-14,19-20,26,31,39H,15-18H2,(H,35,36,37).
What are the key properties of 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol?
4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol has a molecular weight of 555.51 g/mol, XLogP of 7.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]phenol is sourced from PubChem (CID 118916162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).