2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide

C23H16N4O2S — CID 10894899

IUPAC2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
SMILESO=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cscn2)c2ccccc12
InChIInChI=1S/C23H16N4O2S/c28-22(23(29)26-16-7-8-20-15(10-16)4-3-9-24-20)19-12-27(11-17-13-30-14-25-17)21-6-2-1-5-18(19)21/h1-10,12-14H,11H2,(H,26,29)
InChIKeyAVEHSQSXGIIMKF-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.52
Rot. Bonds5

About 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide

2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide (PubChem CID 10894899) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
PubChem CID10894899
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC Name2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
SMILESO=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cscn2)c2ccccc12
InChIInChI=1S/C23H16N4O2S/c28-22(23(29)26-16-7-8-20-15(10-16)4-3-9-24-20)19-12-27(11-17-13-30-14-25-17)21-6-2-1-5-18(19)21/h1-10,12-14H,11H2,(H,26,29)
InChIKeyAVEHSQSXGIIMKF-UHFFFAOYSA-N
XLogP4.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
The IUPAC name of 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide (CID 10894899) is 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide.
What is the SMILES notation for 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
The canonical SMILES for 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide is O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cscn2)c2ccccc12.
What is the InChIKey of 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
The InChIKey is AVEHSQSXGIIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c28-22(23(29)26-16-7-8-20-15(10-16)4-3-9-24-20)19-12-27(11-17-13-30-14-25-17)21-6-2-1-5-18(19)21/h1-10,12-14H,11H2,(H,26,29).
What are the key properties of 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-quinolin-6-yl-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 10894899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).