4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione

C30H32N2O5 — CID 171346262

IUPAC4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione
SMILESCCCCCCCCCCCC1=C(O)c2nc3ccccc3c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)C1=O
InChIInChI=1S/C30H32N2O5/c1-2-3-4-5-6-7-8-9-10-14-23-28(33)27-26(30(35)29(23)34)25(22-13-11-12-15-24(22)31-27)20-16-18-21(19-17-20)32(36)37/h11-13,15-19,33H,2-10,14H2,1H3
InChIKeyPEUSZDLUBBKRHP-UHFFFAOYSA-N
MW500.60 g/mol
LogP7.77
Rot. Bonds12

About 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione

4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione (PubChem CID 171346262) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione.

Molecular Properties

Compound Name4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione
PubChem CID171346262
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Name4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione
SMILESCCCCCCCCCCCC1=C(O)c2nc3ccccc3c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)C1=O
InChIInChI=1S/C30H32N2O5/c1-2-3-4-5-6-7-8-9-10-14-23-28(33)27-26(30(35)29(23)34)25(22-13-11-12-15-24(22)31-27)20-16-18-21(19-17-20)32(36)37/h11-13,15-19,33H,2-10,14H2,1H3
InChIKeyPEUSZDLUBBKRHP-UHFFFAOYSA-N
XLogP7.77
TPSA110.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione 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

9-(4-chlorophenyl)-4-hydroxy-3-undecylacridine-1,2-dione
CID 171342412
4-hydroxy-7-methoxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione
CID 171358812
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
5-butyl-4-(4-nitrophenyl)-3-phenyl-1,2-oxazole
CID 135031959
2-(4-butylphenyl)-N-(4-nitrophenyl)quinazolin-4-amine
CID 23818931
3-nitro-4-pentylquinolin-2-amine
CID 67636144
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
hexane;4-nitrophenol;pyrene
CID 175425201
3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
CID 71469733
N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine
CID 45139334
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
N-ethyl-N-[(4-nitrophenyl)methyl]-4-phenylquinazoline-2-carboxamide
CID 90655960

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione?
The IUPAC name of 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione (CID 171346262) is 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione.
What is the SMILES notation for 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione?
The canonical SMILES for 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione is CCCCCCCCCCCC1=C(O)c2nc3ccccc3c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)C1=O.
What is the InChIKey of 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione?
The InChIKey is PEUSZDLUBBKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-2-3-4-5-6-7-8-9-10-14-23-28(33)27-26(30(35)29(23)34)25(22-13-11-12-15-24(22)31-27)20-16-18-21(19-17-20)32(36)37/h11-13,15-19,33H,2-10,14H2,1H3.
What are the key properties of 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione?
4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione has a molecular weight of 500.60 g/mol, XLogP of 7.77, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,2-dione is sourced from PubChem (CID 171346262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).