6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol

C18H14N4O3 — CID 102460072

IUPAC6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol
SMILESO=[N+]([O-])c1ccc(NC2c3cccnc3-c3ncccc3C2O)cc1
InChIInChI=1S/C18H14N4O3/c23-18-14-4-2-10-20-16(14)15-13(3-1-9-19-15)17(18)21-11-5-7-12(8-6-11)22(24)25/h1-10,17-18,21,23H
InChIKeyXRYRCAQBJIWSBN-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.25
Rot. Bonds3

About 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol

6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol (PubChem CID 102460072) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol.

Molecular Properties

Compound Name6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol
PubChem CID102460072
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol
SMILESO=[N+]([O-])c1ccc(NC2c3cccnc3-c3ncccc3C2O)cc1
InChIInChI=1S/C18H14N4O3/c23-18-14-4-2-10-20-16(14)15-13(3-1-9-19-15)17(18)21-11-5-7-12(8-6-11)22(24)25/h1-10,17-18,21,23H
InChIKeyXRYRCAQBJIWSBN-UHFFFAOYSA-N
XLogP3.25
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol 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

(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol
CID 11110369
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
4-nitro-N-[(3R)-3H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
CID 97057151
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
CID 177046941
N-(4-nitrophenyl)pyrimidine-2-sulfonamide
CID 172600186
3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one
CID 142670866
(3S)-3-(4-nitroanilino)-3H-2-benzofuran-1-one
CID 7460415
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
CID 59672710
5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
CID 72735878
(3S,4R)-4-(4-nitroanilino)-1,1-dioxothiolan-3-ol
CID 18801486
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol?
The IUPAC name of 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol (CID 102460072) is 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol.
What is the SMILES notation for 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol?
The canonical SMILES for 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol is O=[N+]([O-])c1ccc(NC2c3cccnc3-c3ncccc3C2O)cc1.
What is the InChIKey of 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol?
The InChIKey is XRYRCAQBJIWSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18-14-4-2-10-20-16(14)15-13(3-1-9-19-15)17(18)21-11-5-7-12(8-6-11)22(24)25/h1-10,17-18,21,23H.
What are the key properties of 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol?
6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol has a molecular weight of 334.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol is sourced from PubChem (CID 102460072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).