N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide

C25H21N3O3 — CID 26053126

IUPACN-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C25H21N3O3/c29-23(26-17-11-9-16(10-12-17)25(31)27-18-13-14-18)15-28-21-7-3-1-5-19(21)24(30)20-6-2-4-8-22(20)28/h1-12,18H,13-15H2,(H,26,29)(H,27,31)
InChIKeyXVZNDXFLLFALQY-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.69
Rot. Bonds5

About N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide

N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide (PubChem CID 26053126) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
PubChem CID26053126
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C25H21N3O3/c29-23(26-17-11-9-16(10-12-17)25(31)27-18-13-14-18)15-28-21-7-3-1-5-19(21)24(30)20-6-2-4-8-22(20)28/h1-12,18H,13-15H2,(H,26,29)(H,27,31)
InChIKeyXVZNDXFLLFALQY-UHFFFAOYSA-N
XLogP3.69
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]indole-3-carboxylate
CID 46553810
N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55574362
2-(9-oxoacridin-10-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387578
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16583700
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
5-[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763150
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
CID 55840369
2-(9-oxoacridin-10-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 60616940

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide (CID 26053126) is N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
The InChIKey is XVZNDXFLLFALQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23(26-17-11-9-16(10-12-17)25(31)27-18-13-14-18)15-28-21-7-3-1-5-19(21)24(30)20-6-2-4-8-22(20)28/h1-12,18H,13-15H2,(H,26,29)(H,27,31).
What are the key properties of N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide is sourced from PubChem (CID 26053126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).