2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide

C25H20N2O3 — CID 27131729

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H20N2O3/c28-22(15-27-14-6-8-16-7-1-4-13-21(16)27)26-20-12-5-11-19-23(20)25(30)18-10-3-2-9-17(18)24(19)29/h1-5,7,9-13H,6,8,14-15H2,(H,26,28)
InChIKeyQCMBQMPCSYIJPA-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.85
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 27131729) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
PubChem CID27131729
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H20N2O3/c28-22(15-27-14-6-8-16-7-1-4-13-21(16)27)26-20-12-5-11-19-23(20)25(30)18-10-3-2-9-17(18)24(19)29/h1-5,7,9-13H,6,8,14-15H2,(H,26,28)
InChIKeyQCMBQMPCSYIJPA-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686621
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8686571
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564858

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide (CID 27131729) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide is O=C(CN1CCCc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is QCMBQMPCSYIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-22(15-27-14-6-8-16-7-1-4-13-21(16)27)26-20-12-5-11-19-23(20)25(30)18-10-3-2-9-17(18)24(19)29/h1-5,7,9-13H,6,8,14-15H2,(H,26,28).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 27131729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).