7-nitroquinolin-8-amine

C9H7N3O2 — CID 12663942

IUPAC7-nitroquinolin-8-amine
SMILESNc1c([N+](=O)[O-])ccc2cccnc12
InChIInChI=1S/C9H7N3O2/c10-8-7(12(13)14)4-3-6-2-1-5-11-9(6)8/h1-5H,10H2
InChIKeyGKEHJLSFVXBUPA-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.73
Rot. Bonds1

About 7-nitroquinolin-8-amine

7-nitroquinolin-8-amine (PubChem CID 12663942) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 7-nitroquinolin-8-amine.

Molecular Properties

Compound Name7-nitroquinolin-8-amine
PubChem CID12663942
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name7-nitroquinolin-8-amine
SMILESNc1c([N+](=O)[O-])ccc2cccnc12
InChIInChI=1S/C9H7N3O2/c10-8-7(12(13)14)4-3-6-2-1-5-11-9(6)8/h1-5H,10H2
InChIKeyGKEHJLSFVXBUPA-UHFFFAOYSA-N
XLogP1.73
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-methyl-7-nitroquinolin-8-amine
CID 131339088
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
1,10-phenanthroline;samarium
CID 174616745
7-iodo-8-nitroquinoline
CID 133062974
5-nitro-1H-benzimidazole-2,4-diamine
CID 131052112
6,8-dinitroquinoline
CID 11106850
4-chlorobenzoic acid;7-nitroquinolin-8-ol
CID 23620171
1,7-phenanthrolin-8-amine;2,4,6-trinitrophenol
CID 23723893
8-aminoquinoline-7-carbonitrile
CID 13439027
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
bis(1,10-phenanthroline);dihydrobromide
CID 70430219

Frequently Asked Questions

What is the IUPAC name of 7-nitroquinolin-8-amine?
The IUPAC name of 7-nitroquinolin-8-amine (CID 12663942) is 7-nitroquinolin-8-amine.
What is the SMILES notation for 7-nitroquinolin-8-amine?
The canonical SMILES for 7-nitroquinolin-8-amine is Nc1c([N+](=O)[O-])ccc2cccnc12.
What is the InChIKey of 7-nitroquinolin-8-amine?
The InChIKey is GKEHJLSFVXBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-8-7(12(13)14)4-3-6-2-1-5-11-9(6)8/h1-5H,10H2.
What are the key properties of 7-nitroquinolin-8-amine?
7-nitroquinolin-8-amine has a molecular weight of 189.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroquinolin-8-amine is sourced from PubChem (CID 12663942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).