N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide

C24H23N3O4 — CID 155537498

IUPACN-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O
InChIInChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)
InChIKeyFOXYYCJUQCUSPX-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide

N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide (PubChem CID 155537498) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide
PubChem CID155537498
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O
InChIInChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)
InChIKeyFOXYYCJUQCUSPX-UHFFFAOYSA-N
XLogP4.01
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.01
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]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide (CID 155537498) is N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide?
The InChIKey is FOXYYCJUQCUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28).
What are the key properties of N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide?
N-[4-(1-benzofuran-2-yl)-8-hydroxyquinolin-7-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 417.47 g/mol, XLogP of 4.01, 5 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]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 155537498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).