2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine

C23H27N5O — CID 136529350

IUPAC2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(CCc3ccc4c(c3)CCO4)CC2)nc2ccccc12
InChIInChI=1S/C23H27N5O/c24-23-19-3-1-2-4-20(19)25-22(26-23)16-28-12-10-27(11-13-28)9-7-17-5-6-21-18(15-17)8-14-29-21/h1-6,15H,7-14,16H2,(H2,24,25,26)
InChIKeyUWJMPNCYKAUYMA-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.51
Rot. Bonds5

About 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine

2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 136529350) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID136529350
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(CCc3ccc4c(c3)CCO4)CC2)nc2ccccc12
InChIInChI=1S/C23H27N5O/c24-23-19-3-1-2-4-20(19)25-22(26-23)16-28-12-10-27(11-13-28)9-7-17-5-6-21-18(15-17)8-14-29-21/h1-6,15H,7-14,16H2,(H2,24,25,26)
InChIKeyUWJMPNCYKAUYMA-UHFFFAOYSA-N
XLogP2.51
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-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-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
CID 111487291
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 133489031
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33120826
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 17424498
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azepan-4-yl]-2,2-diphenylacetamide
CID 142809097

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine (CID 136529350) is 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCN(CCc3ccc4c(c3)CCO4)CC2)nc2ccccc12.
What is the InChIKey of 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is UWJMPNCYKAUYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c24-23-19-3-1-2-4-20(19)25-22(26-23)16-28-12-10-27(11-13-28)9-7-17-5-6-21-18(15-17)8-14-29-21/h1-6,15H,7-14,16H2,(H2,24,25,26).
What are the key properties of 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 136529350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).