1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone

C21H18N4O2 — CID 32884666

IUPAC1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C21H18N4O2/c26-21(19-13-15-5-1-4-8-18(15)27-19)25-11-9-24(10-12-25)20-16-6-2-3-7-17(16)22-14-23-20/h1-8,13-14H,9-12H2
InChIKeyDXNZUCDKQMFBBY-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.34
Rot. Bonds2

About 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone

1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone (PubChem CID 32884666) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
PubChem CID32884666
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C21H18N4O2/c26-21(19-13-15-5-1-4-8-18(15)27-19)25-11-9-24(10-12-25)20-16-6-2-3-7-17(16)22-14-23-20/h1-8,13-14H,9-12H2
InChIKeyDXNZUCDKQMFBBY-UHFFFAOYSA-N
XLogP3.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
CID 42535118
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 70785001
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 29105738
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
4-quinazolin-4-ylthiomorpholine;urea
CID 171802297
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone (CID 32884666) is 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is DXNZUCDKQMFBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-21(19-13-15-5-1-4-8-18(15)27-19)25-11-9-24(10-12-25)20-16-6-2-3-7-17(16)22-14-23-20/h1-8,13-14H,9-12H2.
What are the key properties of 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 32884666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).