2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine

C22H26ClN5 — CID 91966246

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
SMILESCCCNc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5/c1-2-11-24-21-18-8-4-6-10-20(18)25-22(26-21)28-14-12-27(13-15-28)16-17-7-3-5-9-19(17)23/h3-10H,2,11-16H2,1H3,(H,24,25,26)
InChIKeyGLLUVBGKZGUSMB-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.43
Rot. Bonds6

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine (PubChem CID 91966246) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
PubChem CID91966246
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
SMILESCCCNc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C22H26ClN5/c1-2-11-24-21-18-8-4-6-10-20(18)25-22(26-21)28-14-12-27(13-15-28)16-17-7-3-5-9-19(17)23/h3-10H,2,11-16H2,1H3,(H,24,25,26)
InChIKeyGLLUVBGKZGUSMB-UHFFFAOYSA-N
XLogP4.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 91966252
N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
CID 71690751
2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 91963312
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-(4-benzhydrylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 71690759
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 71690736
2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964161
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964164
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(trifluoromethyl)quinazoline
CID 71689078
2-(4-benzylpiperazin-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 112906857
3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine (CID 91966246) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine is CCCNc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
The InChIKey is GLLUVBGKZGUSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c1-2-11-24-21-18-8-4-6-10-20(18)25-22(26-21)28-14-12-27(13-15-28)16-17-7-3-5-9-19(17)23/h3-10H,2,11-16H2,1H3,(H,24,25,26).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine has a molecular weight of 395.94 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine is sourced from PubChem (CID 91966246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).