[2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol

C24H36N6O2 — CID 71221712

IUPAC[2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol
SMILESCN(C)CCCNc1nc(CN2CCN(CC3CC=C(CO)O3)CC2)nc2ccccc12
InChIInChI=1S/C24H36N6O2/c1-28(2)11-5-10-25-24-21-6-3-4-7-22(21)26-23(27-24)17-30-14-12-29(13-15-30)16-19-8-9-20(18-31)32-19/h3-4,6-7,9,19,31H,5,8,10-18H2,1-2H3,(H,25,26,27)
InChIKeyNFPVISICXUPJJY-UHFFFAOYSA-N
MW440.59 g/mol
LogP1.78
Rot. Bonds10

About [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol

[2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol (PubChem CID 71221712) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol.

Molecular Properties

Compound Name[2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol
PubChem CID71221712
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC Name[2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol
SMILESCN(C)CCCNc1nc(CN2CCN(CC3CC=C(CO)O3)CC2)nc2ccccc12
InChIInChI=1S/C24H36N6O2/c1-28(2)11-5-10-25-24-21-6-3-4-7-22(21)26-23(27-24)17-30-14-12-29(13-15-30)16-19-8-9-20(18-31)32-19/h3-4,6-7,9,19,31H,5,8,10-18H2,1-2H3,(H,25,26,27)
InChIKeyNFPVISICXUPJJY-UHFFFAOYSA-N
XLogP1.78
TPSA76.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol?
The IUPAC name of [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol (CID 71221712) is [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol.
What is the SMILES notation for [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol?
The canonical SMILES for [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol is CN(C)CCCNc1nc(CN2CCN(CC3CC=C(CO)O3)CC2)nc2ccccc12.
What is the InChIKey of [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol?
The InChIKey is NFPVISICXUPJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-28(2)11-5-10-25-24-21-6-3-4-7-22(21)26-23(27-24)17-30-14-12-29(13-15-30)16-19-8-9-20(18-31)32-19/h3-4,6-7,9,19,31H,5,8,10-18H2,1-2H3,(H,25,26,27).
What are the key properties of [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol?
[2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol has a molecular weight of 440.59 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]methyl]-2,3-dihydrofuran-5-yl]methanol is sourced from PubChem (CID 71221712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).