2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide

C23H27N3O2 — CID 43064818

IUPAC2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
SMILESCCC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC1
InChIInChI=1S/C23H27N3O2/c1-2-17(25-13-7-8-14-25)15-24-22(27)16-26-20-11-5-3-9-18(20)23(28)19-10-4-6-12-21(19)26/h3-6,9-12,17H,2,7-8,13-16H2,1H3,(H,24,27)
InChIKeyHAUZFXOUKYSDLW-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.15
Rot. Bonds6

About 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide

2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide (PubChem CID 43064818) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
PubChem CID43064818
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
SMILESCCC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC1
InChIInChI=1S/C23H27N3O2/c1-2-17(25-13-7-8-14-25)15-24-22(27)16-26-20-11-5-3-9-18(20)23(28)19-10-4-6-12-21(19)26/h3-6,9-12,17H,2,7-8,13-16H2,1H3,(H,24,27)
InChIKeyHAUZFXOUKYSDLW-UHFFFAOYSA-N
XLogP3.15
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(9-oxoacridin-10-yl)acetamide
CID 46410424
N-[2-(diethylamino)propyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46433015
N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43064735
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42939371
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 99810576
4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
CID 120528483
2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 16622190
N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43063424
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46603423
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25488588
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41411599

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide (CID 43064818) is 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide is CCC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC1.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide?
The InChIKey is HAUZFXOUKYSDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-17(25-13-7-8-14-25)15-24-22(27)16-26-20-11-5-3-9-18(20)23(28)19-10-4-6-12-21(19)26/h3-6,9-12,17H,2,7-8,13-16H2,1H3,(H,24,27).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide?
2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide is sourced from PubChem (CID 43064818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).