2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide

C24H18N4O3 — CID 11811669

IUPAC2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc32)on1
InChIInChI=1S/C24H18N4O3/c1-15-11-18(31-27-15)13-28-14-20(19-6-2-3-7-22(19)28)23(29)24(30)26-17-8-9-21-16(12-17)5-4-10-25-21/h2-12,14H,13H2,1H3,(H,26,30)
InChIKeyBTOQKLFDMZFTQR-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.36
Rot. Bonds5

About 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide (PubChem CID 11811669) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
PubChem CID11811669
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc32)on1
InChIInChI=1S/C24H18N4O3/c1-15-11-18(31-27-15)13-28-14-20(19-6-2-3-7-22(19)28)23(29)24(30)26-17-8-9-21-16(12-17)5-4-10-25-21/h2-12,14H,13H2,1H3,(H,26,30)
InChIKeyBTOQKLFDMZFTQR-UHFFFAOYSA-N
XLogP4.36
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide with MolForge

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Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(3-methylisoxazol-5-yl)-1H-indole-7-carboxamide
CID 507858
5-(carbazol-9-ylmethyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 126649181
Piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(5-isoxazolylcarbonyl)-
CID 506358
N-(3-methylisothiazol-5-yl)-2-[1-(3-methylisoxazol-5-ylmethyl)-1H-indol-3-yl]-2-oxoacetamide
CID 10293154
N-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylindole-6-carboxamide
CID 12088737
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-oxazol-5-yl)-2-oxoacetamide
CID 23397126
4-Anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
CID 70689554
N-benzyl-3-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methylamino]benzamide
CID 137656838
3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
CID 22978169
2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
CID 10938099
2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 10960215
N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide
CID 10970526

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide (CID 11811669) is 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide is Cc1cc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc32)on1.
What is the InChIKey of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The InChIKey is BTOQKLFDMZFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-15-11-18(31-27-15)13-28-14-20(19-6-2-3-7-22(19)28)23(29)24(30)26-17-8-9-21-16(12-17)5-4-10-25-21/h2-12,14H,13H2,1H3,(H,26,30).
What are the key properties of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide has a molecular weight of 410.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide is sourced from PubChem (CID 11811669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).