2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine

C20H20N6S — CID 133333627

IUPAC2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(c3ccnc4ccsc34)CC2)nc2ccccc12
InChIInChI=1S/C20H20N6S/c21-20-14-3-1-2-4-15(14)23-18(24-20)13-25-8-10-26(11-9-25)17-5-7-22-16-6-12-27-19(16)17/h1-7,12H,8-11,13H2,(H2,21,23,24)
InChIKeyWMZKNIHLOAQMDZ-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.14
Rot. Bonds3

About 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine

2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine (PubChem CID 133333627) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine
PubChem CID133333627
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(c3ccnc4ccsc34)CC2)nc2ccccc12
InChIInChI=1S/C20H20N6S/c21-20-14-3-1-2-4-15(14)23-18(24-20)13-25-8-10-26(11-9-25)17-5-7-22-16-6-12-27-19(16)17/h1-7,12H,8-11,13H2,(H2,21,23,24)
InChIKeyWMZKNIHLOAQMDZ-UHFFFAOYSA-N
XLogP3.14
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine with MolForge

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Related Compounds

2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 71850438
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 133489031
7-piperazin-1-ylthieno[3,2-b]pyridine
CID 67539796
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333574
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78898970
2-[[4-[2-(methoxymethyl)-4-nitrophenyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333579
2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
CID 115304884
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822

Frequently Asked Questions

What is the IUPAC name of 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine (CID 133333627) is 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine is Nc1nc(CN2CCN(c3ccnc4ccsc34)CC2)nc2ccccc12.
What is the InChIKey of 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The InChIKey is WMZKNIHLOAQMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c21-20-14-3-1-2-4-15(14)23-18(24-20)13-25-8-10-26(11-9-25)17-5-7-22-16-6-12-27-19(16)17/h1-7,12H,8-11,13H2,(H2,21,23,24).
What are the key properties of 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine has a molecular weight of 376.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133333627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).