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

C19H17N3O2 — CID 22484770

IUPAC3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one
SMILESNCCCn1c(-c2ccc3occc3c2)nc2ccccc2c1=O
InChIInChI=1S/C19H17N3O2/c20-9-3-10-22-18(14-6-7-17-13(12-14)8-11-24-17)21-16-5-2-1-4-15(16)19(22)23/h1-2,4-8,11-12H,3,9-10,20H2
InChIKeyCCIGAPQAZOHOJE-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.16
Rot. Bonds4

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

3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one (PubChem CID 22484770) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one
PubChem CID22484770
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one
SMILESNCCCn1c(-c2ccc3occc3c2)nc2ccccc2c1=O
InChIInChI=1S/C19H17N3O2/c20-9-3-10-22-18(14-6-7-17-13(12-14)8-11-24-17)21-16-5-2-1-4-15(16)19(22)23/h1-2,4-8,11-12H,3,9-10,20H2
InChIKeyCCIGAPQAZOHOJE-UHFFFAOYSA-N
XLogP3.16
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one?
The IUPAC name of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one (CID 22484770) is 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one is NCCCn1c(-c2ccc3occc3c2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one?
The InChIKey is CCIGAPQAZOHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-9-3-10-22-18(14-6-7-17-13(12-14)8-11-24-17)21-16-5-2-1-4-15(16)19(22)23/h1-2,4-8,11-12H,3,9-10,20H2.
What are the key properties of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one?
3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one has a molecular weight of 319.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one is sourced from PubChem (CID 22484770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).