2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one

C16H9ClN2O2 — CID 135925287

IUPAC2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3ccccc3o2)nc2cccc(Cl)c12
InChIInChI=1S/C16H9ClN2O2/c17-10-5-3-6-11-14(10)16(20)19-15(18-11)13-8-9-4-1-2-7-12(9)21-13/h1-8H,(H,18,19,20)
InChIKeyISSCYMWJYBQJML-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.99
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one

2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one (PubChem CID 135925287) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one
PubChem CID135925287
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3ccccc3o2)nc2cccc(Cl)c12
InChIInChI=1S/C16H9ClN2O2/c17-10-5-3-6-11-14(10)16(20)19-15(18-11)13-8-9-4-1-2-7-12(9)21-13/h1-8H,(H,18,19,20)
InChIKeyISSCYMWJYBQJML-UHFFFAOYSA-N
XLogP3.99
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one (CID 135925287) is 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one is O=c1[nH]c(-c2cc3ccccc3o2)nc2cccc(Cl)c12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one?
The InChIKey is ISSCYMWJYBQJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-10-5-3-6-11-14(10)16(20)19-15(18-11)13-8-9-4-1-2-7-12(9)21-13/h1-8H,(H,18,19,20).
What are the key properties of 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one?
2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one has a molecular weight of 296.71 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-chloro-3H-quinazolin-4-one is sourced from PubChem (CID 135925287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).