N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide

C23H21N3O4 — CID 155524074

IUPACN-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O
InChIInChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)
InChIKeyMEVMAVCOYHIKDV-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.62
Rot. Bonds4

About N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide

N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide (PubChem CID 155524074) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide
PubChem CID155524074
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O
InChIInChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)
InChIKeyMEVMAVCOYHIKDV-UHFFFAOYSA-N
XLogP3.62
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide (CID 155524074) is N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide?
The InChIKey is MEVMAVCOYHIKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27).
What are the key properties of N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide?
N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide has a molecular weight of 403.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 155524074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).