2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol

C31H28N4O — CID 2921945

IUPAC2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C31H28N4O/c36-28-18-10-8-16-26(28)30-32-27-17-9-7-15-25(27)31(33-30)35-21-19-34(20-22-35)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29,36H,19-22H2
InChIKeyCEJPLORHALXXMN-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.91
Rot. Bonds5

About 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol

2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol (PubChem CID 2921945) has the molecular formula C31H28N4O and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol
PubChem CID2921945
Molecular FormulaC31H28N4O
Molecular Weight472.59 g/mol
Exact Mass472.23
IUPAC Name2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C31H28N4O/c36-28-18-10-8-16-26(28)30-32-27-17-9-7-15-25(27)31(33-30)35-21-19-34(20-22-35)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29,36H,19-22H2
InChIKeyCEJPLORHALXXMN-UHFFFAOYSA-N
XLogP5.91
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-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

Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409
2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 710985
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
(1R,5R)-1,5-dihydroxy-2,4-bis[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-1,5-diphenylpentan-3-one
CID 174533107
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;molecular hydrogen
CID 160603801
(3R)-3-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one;molecular hydrogen
CID 159133211
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen
CID 158576583
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
CID 143198414
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
2-(4-piperazin-1-ylquinazolin-2-yl)phenol;pyridin-4-ylmethyl 4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 158962760
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 159506141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol (CID 2921945) is 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is CEJPLORHALXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O/c36-28-18-10-8-16-26(28)30-32-27-17-9-7-15-25(27)31(33-30)35-21-19-34(20-22-35)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29,36H,19-22H2.
What are the key properties of 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol?
2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol has a molecular weight of 472.59 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 2921945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).