2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol

C22H26ClN5O — CID 91964164

IUPAC2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5O/c1-2-16(15-29)24-21-17-7-3-5-9-19(17)25-22(26-21)28-13-11-27(12-14-28)20-10-6-4-8-18(20)23/h3-10,16,29H,2,11-15H2,1H3,(H,24,25,26)
InChIKeyKCXQBSKKGCFCGA-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.79
Rot. Bonds6

About 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol

2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol (PubChem CID 91964164) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
PubChem CID91964164
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5O/c1-2-16(15-29)24-21-17-7-3-5-9-19(17)25-22(26-21)28-13-11-27(12-14-28)20-10-6-4-8-18(20)23/h3-10,16,29H,2,11-15H2,1H3,(H,24,25,26)
InChIKeyKCXQBSKKGCFCGA-UHFFFAOYSA-N
XLogP3.79
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol 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 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol (CID 91964164) is 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol is CCC(CO)Nc1nc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc12.
What is the InChIKey of 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is KCXQBSKKGCFCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-2-16(15-29)24-21-17-7-3-5-9-19(17)25-22(26-21)28-13-11-27(12-14-28)20-10-6-4-8-18(20)23/h3-10,16,29H,2,11-15H2,1H3,(H,24,25,26).
What are the key properties of 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol has a molecular weight of 411.94 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 91964164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).