3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

C22H19N3O4 — CID 91632072

IUPAC3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C22H19N3O4/c26-20-16-6-2-3-7-17(16)23-22(28)25(20)15-9-11-24(12-10-15)21(27)19-13-14-5-1-4-8-18(14)29-19/h1-8,13,15H,9-12H2,(H,23,28)
InChIKeyCWIUWPKUHWOCQP-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.91
Rot. Bonds2

About 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione

3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (PubChem CID 91632072) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
PubChem CID91632072
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
SMILESO=C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C22H19N3O4/c26-20-16-6-2-3-7-17(16)23-22(28)25(20)15-9-11-24(12-10-15)21(27)19-13-14-5-1-4-8-18(14)29-19/h1-8,13,15H,9-12H2,(H,23,28)
InChIKeyCWIUWPKUHWOCQP-UHFFFAOYSA-N
XLogP2.91
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione (CID 91632072) is 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is O=C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
The InChIKey is CWIUWPKUHWOCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-20-16-6-2-3-7-17(16)23-22(28)25(20)15-9-11-24(12-10-15)21(27)19-13-14-5-1-4-8-18(14)29-19/h1-8,13,15H,9-12H2,(H,23,28).
What are the key properties of 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione?
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione has a molecular weight of 389.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 91632072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).