3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea

C30H25N3O3 — CID 10624385

IUPAC3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea
SMILESO=C1c2ccccc2C(=O)c2c(NCCCNC(=O)N(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C30H25N3O3/c34-28-23-15-7-8-16-24(23)29(35)27-25(28)17-9-18-26(27)31-19-10-20-32-30(36)33(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-9,11-18,31H,10,19-20H2,(H,32,36)
InChIKeyFMULOCXXEWFLLH-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.81
Rot. Bonds7

About 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea

3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea (PubChem CID 10624385) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea.

Molecular Properties

Compound Name3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea
PubChem CID10624385
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC Name3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea
SMILESO=C1c2ccccc2C(=O)c2c(NCCCNC(=O)N(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C30H25N3O3/c34-28-23-15-7-8-16-24(23)29(35)27-25(28)17-9-18-26(27)31-19-10-20-32-30(36)33(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-9,11-18,31H,10,19-20H2,(H,32,36)
InChIKeyFMULOCXXEWFLLH-UHFFFAOYSA-N
XLogP5.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea 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

1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride
CID 3076422
2,6-bis[2,6-bis[[2-amino-6-[(9,10-dioxoanthracen-1-yl)amino]hexanoyl]amino]hexanoylamino]hexanoic acid
CID 177466866
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
1-[3-[3-[3-[3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]imidazolidin-1-yl]propyl]imidazolidin-1-yl]propylamino]anthracene-9,10-dione
CID 20579889
3-[[9,10-dioxo-5-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006737
(2S,3S,4S,5S)-N-[2-[(9,10-dioxoanthracen-1-yl)amino]ethyl]-2,3,4,5,6-pentahydroxyhexanamide
CID 10527251
1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium
CID 44826255
3-[[9,10-dioxo-8-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006734
1-[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione
CID 3142375
1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione
CID 175308247
tert-butyl N-[(2R)-2-amino-3-phenylpropanoyl]-N-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]carbamate
CID 67637101
1-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
CID 154105166

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea?
The IUPAC name of 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea (CID 10624385) is 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea.
What is the SMILES notation for 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea?
The canonical SMILES for 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea is O=C1c2ccccc2C(=O)c2c(NCCCNC(=O)N(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea?
The InChIKey is FMULOCXXEWFLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3/c34-28-23-15-7-8-16-24(23)29(35)27-25(28)17-9-18-26(27)31-19-10-20-32-30(36)33(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-9,11-18,31H,10,19-20H2,(H,32,36).
What are the key properties of 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea?
3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea has a molecular weight of 475.55 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]-1,1-diphenylurea is sourced from PubChem (CID 10624385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).