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

C23H29N5O — CID 91964161

IUPAC2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5O/c1-2-19(17-29)24-22-20-10-6-7-11-21(20)25-23(26-22)28-14-12-27(13-15-28)16-18-8-4-3-5-9-18/h3-11,19,29H,2,12-17H2,1H3,(H,24,25,26)
InChIKeyPKIYUMJCNVITLK-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.13
Rot. Bonds7

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

2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol (PubChem CID 91964161) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
PubChem CID91964161
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5O/c1-2-19(17-29)24-22-20-10-6-7-11-21(20)25-23(26-22)28-14-12-27(13-15-28)16-18-8-4-3-5-9-18/h3-11,19,29H,2,12-17H2,1H3,(H,24,25,26)
InChIKeyPKIYUMJCNVITLK-UHFFFAOYSA-N
XLogP3.13
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-benzylpiperazin-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-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964165
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91963216
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
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
CID 91966246
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 91966252
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol (CID 91964161) is 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol is CCC(CO)Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is PKIYUMJCNVITLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-2-19(17-29)24-22-20-10-6-7-11-21(20)25-23(26-22)28-14-12-27(13-15-28)16-18-8-4-3-5-9-18/h3-11,19,29H,2,12-17H2,1H3,(H,24,25,26).
What are the key properties of 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol?
2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol has a molecular weight of 391.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 91964161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).