3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one

C20H19N3O3 — CID 22484769

IUPAC3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc4occc4c3)n(CCCN)c(=O)c2c1
InChIInChI=1S/C20H19N3O3/c1-25-15-4-5-17-16(12-15)20(24)23(9-2-8-21)19(22-17)14-3-6-18-13(11-14)7-10-26-18/h3-7,10-12H,2,8-9,21H2,1H3
InChIKeyJBJGUHMRLGTJTI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.17
Rot. Bonds5

About 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one

3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one (PubChem CID 22484769) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one
PubChem CID22484769
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(-c3ccc4occc4c3)n(CCCN)c(=O)c2c1
InChIInChI=1S/C20H19N3O3/c1-25-15-4-5-17-16(12-15)20(24)23(9-2-8-21)19(22-17)14-3-6-18-13(11-14)7-10-26-18/h3-7,10-12H,2,8-9,21H2,1H3
InChIKeyJBJGUHMRLGTJTI-UHFFFAOYSA-N
XLogP3.17
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one?
The IUPAC name of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one (CID 22484769) is 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one is COc1ccc2nc(-c3ccc4occc4c3)n(CCCN)c(=O)c2c1.
What is the InChIKey of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one?
The InChIKey is JBJGUHMRLGTJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-15-4-5-17-16(12-15)20(24)23(9-2-8-21)19(22-17)14-3-6-18-13(11-14)7-10-26-18/h3-7,10-12H,2,8-9,21H2,1H3.
What are the key properties of 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one?
3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one has a molecular weight of 349.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one is sourced from PubChem (CID 22484769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).