2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide

C24H17N3O3 — CID 10938099

IUPAC2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
SMILESO=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2ccco2)c2ccccc12
InChIInChI=1S/C24H17N3O3/c28-23(24(29)26-17-9-10-21-16(13-17)5-3-11-25-21)20-15-27(14-18-6-4-12-30-18)22-8-2-1-7-19(20)22/h1-13,15H,14H2,(H,26,29)
InChIKeyAUNKIQNXVUHOBO-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.65
Rot. Bonds5

About 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide

2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide (PubChem CID 10938099) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
PubChem CID10938099
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
SMILESO=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2ccco2)c2ccccc12
InChIInChI=1S/C24H17N3O3/c28-23(24(29)26-17-9-10-21-16(13-17)5-3-11-25-21)20-15-27(14-18-6-4-12-30-18)22-8-2-1-7-19(20)22/h1-13,15H,14H2,(H,26,29)
InChIKeyAUNKIQNXVUHOBO-UHFFFAOYSA-N
XLogP4.65
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide (CID 10938099) is 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide is O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2ccco2)c2ccccc12.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The InChIKey is AUNKIQNXVUHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23(24(29)26-17-9-10-21-16(13-17)5-3-11-25-21)20-15-27(14-18-6-4-12-30-18)22-8-2-1-7-19(20)22/h1-13,15H,14H2,(H,26,29).
What are the key properties of 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide has a molecular weight of 395.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide is sourced from PubChem (CID 10938099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).