aniline;5-nitroquinolin-8-ol

C15H13N3O3 — CID 90427564

IUPACaniline;5-nitroquinolin-8-ol
SMILESNc1ccccc1.O=[N+]([O-])c1ccc(O)c2ncccc12
InChIInChI=1S/C9H6N2O3.C6H7N/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;7-6-4-2-1-3-5-6/h1-5,12H;1-5H,7H2
InChIKeySEKQXQNGQYALCD-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.12
Rot. Bonds1

About aniline;5-nitroquinolin-8-ol

aniline;5-nitroquinolin-8-ol (PubChem CID 90427564) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is aniline;5-nitroquinolin-8-ol.

Molecular Properties

Compound Nameaniline;5-nitroquinolin-8-ol
PubChem CID90427564
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameaniline;5-nitroquinolin-8-ol
SMILESNc1ccccc1.O=[N+]([O-])c1ccc(O)c2ncccc12
InChIInChI=1S/C9H6N2O3.C6H7N/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;7-6-4-2-1-3-5-6/h1-5,12H;1-5H,7H2
InChIKeySEKQXQNGQYALCD-UHFFFAOYSA-N
XLogP3.12
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride
CID 51353266
5-nitroquinoline-8-carboxylic acid
CID 15405331
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;5-nitroquinolin-8-ol
CID 86268277
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
4-(2,6-diamino-3-nitrophenyl)quinolin-8-ol
CID 67459187
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
ethane;8-(4-methylpyrimidin-2-yl)sulfanyl-5-nitroquinoline
CID 144616660

Frequently Asked Questions

What is the IUPAC name of aniline;5-nitroquinolin-8-ol?
The IUPAC name of aniline;5-nitroquinolin-8-ol (CID 90427564) is aniline;5-nitroquinolin-8-ol.
What is the SMILES notation for aniline;5-nitroquinolin-8-ol?
The canonical SMILES for aniline;5-nitroquinolin-8-ol is Nc1ccccc1.O=[N+]([O-])c1ccc(O)c2ncccc12.
What is the InChIKey of aniline;5-nitroquinolin-8-ol?
The InChIKey is SEKQXQNGQYALCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3.C6H7N/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;7-6-4-2-1-3-5-6/h1-5,12H;1-5H,7H2.
What are the key properties of aniline;5-nitroquinolin-8-ol?
aniline;5-nitroquinolin-8-ol has a molecular weight of 283.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;5-nitroquinolin-8-ol is sourced from PubChem (CID 90427564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).