2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol

C22H26ClN5O — CID 91964165

IUPAC2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5O/c1-2-17(15-29)24-21-19-8-3-4-9-20(19)25-22(26-21)28-12-10-27(11-13-28)18-7-5-6-16(23)14-18/h3-9,14,17,29H,2,10-13,15H2,1H3,(H,24,25,26)
InChIKeyHPVILJXRTZALJA-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.79
Rot. Bonds6

About 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol

2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol (PubChem CID 91964165) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
PubChem CID91964165
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5O/c1-2-17(15-29)24-21-19-8-3-4-9-20(19)25-22(26-21)28-12-10-27(11-13-28)18-7-5-6-16(23)14-18/h3-9,14,17,29H,2,10-13,15H2,1H3,(H,24,25,26)
InChIKeyHPVILJXRTZALJA-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-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964164
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91963216
2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964161
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964156
(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol
CID 68722436
3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine
CID 91966139
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68723199
2-(4-methylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 1090838
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
CID 71690580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol (CID 91964165) is 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol is CCC(CO)Nc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is HPVILJXRTZALJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-2-17(15-29)24-21-19-8-3-4-9-20(19)25-22(26-21)28-12-10-27(11-13-28)18-7-5-6-16(23)14-18/h3-9,14,17,29H,2,10-13,15H2,1H3,(H,24,25,26).
What are the key properties of 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
2-[[2-[4-(3-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-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 91964165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).