3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine

C29H29Cl2N5S — CID 58809136

IUPAC3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine
SMILESClc1ccc(C(c2ccc(Cl)cc2)N2CCN(Cc3nc(N4CCSC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C29H29Cl2N5S/c30-23-9-5-21(6-10-23)28(22-7-11-24(31)12-8-22)35-15-13-34(14-16-35)19-27-32-26-4-2-1-3-25(26)29(33-27)36-17-18-37-20-36/h1-12,28H,13-20H2
InChIKeyBKPPLJSSSMZDJQ-UHFFFAOYSA-N
MW550.56 g/mol
LogP6.35
Rot. Bonds6

About 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine

3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine (PubChem CID 58809136) has the molecular formula C29H29Cl2N5S and a molecular weight of 550.56 g/mol. Its IUPAC name is 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine
PubChem CID58809136
Molecular FormulaC29H29Cl2N5S
Molecular Weight550.56 g/mol
Exact Mass549.15
IUPAC Name3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine
SMILESClc1ccc(C(c2ccc(Cl)cc2)N2CCN(Cc3nc(N4CCSC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C29H29Cl2N5S/c30-23-9-5-21(6-10-23)28(22-7-11-24(31)12-8-22)35-15-13-34(14-16-35)19-27-32-26-4-2-1-3-25(26)29(33-27)36-17-18-37-20-36/h1-12,28H,13-20H2
InChIKeyBKPPLJSSSMZDJQ-UHFFFAOYSA-N
XLogP6.35
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.56
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine with MolForge

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Related Compounds

2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(4-methyl-1,4-diazepan-1-yl)quinazoline
CID 58809322
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]quinazoline
CID 15984698
3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine
CID 58809692
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 143396975
3-[[[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]amino]methyl]benzonitrile
CID 58809596
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N-[3-(4,5-dihydroimidazol-1-yl)propyl]quinazolin-4-amine
CID 143397385
2-[[4-[(4-chlorophenyl)-[4-(iodomethyl)phenyl]methyl]piperazin-1-yl]methyl]-4-(2-piperidin-1-ylethoxy)quinazoline
CID 89386405
2-[[4-[(4-chlorophenyl)-[4-(iodomethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-methyl-N-(1-phenylethyl)quinazolin-4-amine
CID 89386403
2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 58809678
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
ethyl (2S)-2-[[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]amino]-4-(dimethylamino)butanoate
CID 15984851
2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135958353

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine?
The IUPAC name of 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine (CID 58809136) is 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine.
What is the SMILES notation for 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine?
The canonical SMILES for 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine is Clc1ccc(C(c2ccc(Cl)cc2)N2CCN(Cc3nc(N4CCSC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine?
The InChIKey is BKPPLJSSSMZDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2N5S/c30-23-9-5-21(6-10-23)28(22-7-11-24(31)12-8-22)35-15-13-34(14-16-35)19-27-32-26-4-2-1-3-25(26)29(33-27)36-17-18-37-20-36/h1-12,28H,13-20H2.
What are the key properties of 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine?
3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine has a molecular weight of 550.56 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-1,3-thiazolidine is sourced from PubChem (CID 58809136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).