2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide

C26H23N3O4 — CID 78892122

IUPAC2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H23N3O4/c30-24-12-9-17-15-18(10-11-21(17)28-24)33-14-13-27-25(31)16-29-22-7-3-1-5-19(22)26(32)20-6-2-4-8-23(20)29/h1-8,10-11,15H,9,12-14,16H2,(H,27,31)(H,28,30)
InChIKeySYBWZQVKRDDRMF-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.23
Rot. Bonds6

About 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide

2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide (PubChem CID 78892122) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide
PubChem CID78892122
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C26H23N3O4/c30-24-12-9-17-15-18(10-11-21(17)28-24)33-14-13-27-25(31)16-29-22-7-3-1-5-19(22)26(32)20-6-2-4-8-23(20)29/h1-8,10-11,15H,9,12-14,16H2,(H,27,31)(H,28,30)
InChIKeySYBWZQVKRDDRMF-UHFFFAOYSA-N
XLogP3.23
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide
CID 78891639
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78892163

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide (CID 78892122) is 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide?
The InChIKey is SYBWZQVKRDDRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c30-24-12-9-17-15-18(10-11-21(17)28-24)33-14-13-27-25(31)16-29-22-7-3-1-5-19(22)26(32)20-6-2-4-8-23(20)29/h1-8,10-11,15H,9,12-14,16H2,(H,27,31)(H,28,30).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide?
2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 78892122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).