6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline

C20H20N4O3S — CID 126894227

IUPAC6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C20H20N4O3S/c25-28(26,18-2-4-20-15(12-18)5-10-27-20)24-8-6-23(7-9-24)17-1-3-19-16(11-17)13-21-14-22-19/h1-4,11-14H,5-10H2
InChIKeyWLFNDRGIKXNWGS-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.08
Rot. Bonds3

About 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline

6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline (PubChem CID 126894227) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline
PubChem CID126894227
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C20H20N4O3S/c25-28(26,18-2-4-20-15(12-18)5-10-27-20)24-8-6-23(7-9-24)17-1-3-19-16(11-17)13-21-14-22-19/h1-4,11-14H,5-10H2
InChIKeyWLFNDRGIKXNWGS-UHFFFAOYSA-N
XLogP2.08
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
4-[6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]pyridazin-4-yl]morpholine
CID 122355504
1-(5-bromo-2-pyridinyl)-4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
CID 55681889
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540
4-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338388
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 55502979
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339139
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
CID 122335661
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]pyrimidin-4-amine
CID 126855226

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline (CID 126894227) is 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline is O=S(=O)(c1ccc2c(c1)CCO2)N1CCN(c2ccc3ncncc3c2)CC1.
What is the InChIKey of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline?
The InChIKey is WLFNDRGIKXNWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-28(26,18-2-4-20-15(12-18)5-10-27-20)24-8-6-23(7-9-24)17-1-3-19-16(11-17)13-21-14-22-19/h1-4,11-14H,5-10H2.
What are the key properties of 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline?
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline has a molecular weight of 396.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).