N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide

C28H32N4O4 — CID 10435599

IUPACN-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(NC(=O)CCN2CCCC2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C28H32N4O4/c33-23(11-17-31-13-3-4-14-31)29-21-9-10-22(30-24(34)12-18-32-15-5-6-16-32)26-25(21)27(35)19-7-1-2-8-20(19)28(26)36/h1-2,7-10H,3-6,11-18H2,(H,29,33)(H,30,34)
InChIKeyMGGPLBNFKXWESS-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.31
Rot. Bonds8

About N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide

N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 10435599) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID10435599
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(NC(=O)CCN2CCCC2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C28H32N4O4/c33-23(11-17-31-13-3-4-14-31)29-21-9-10-22(30-24(34)12-18-32-15-5-6-16-32)26-25(21)27(35)19-7-1-2-8-20(19)28(26)36/h1-2,7-10H,3-6,11-18H2,(H,29,33)(H,30,34)
InChIKeyMGGPLBNFKXWESS-UHFFFAOYSA-N
XLogP3.31
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide (CID 10435599) is N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1ccc(NC(=O)CCN2CCCC2)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is MGGPLBNFKXWESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c33-23(11-17-31-13-3-4-14-31)29-21-9-10-22(30-24(34)12-18-32-15-5-6-16-32)26-25(21)27(35)19-7-1-2-8-20(19)28(26)36/h1-2,7-10H,3-6,11-18H2,(H,29,33)(H,30,34).
What are the key properties of N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide?
N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 488.59 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,10-dioxo-4-(3-pyrrolidin-1-ylpropanoylamino)anthracen-1-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 10435599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).