8-nitroquinazolin-4-amine

C8H6N4O2 — CID 119088065

IUPAC8-nitroquinazolin-4-amine
SMILESNc1ncnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C8H6N4O2/c9-8-5-2-1-3-6(12(13)14)7(5)10-4-11-8/h1-4H,(H2,9,10,11)
InChIKeyGYPPGZIPKPFZIB-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.12
Rot. Bonds1

About 8-nitroquinazolin-4-amine

8-nitroquinazolin-4-amine (PubChem CID 119088065) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 8-nitroquinazolin-4-amine.

Molecular Properties

Compound Name8-nitroquinazolin-4-amine
PubChem CID119088065
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name8-nitroquinazolin-4-amine
SMILESNc1ncnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C8H6N4O2/c9-8-5-2-1-3-6(12(13)14)7(5)10-4-11-8/h1-4H,(H2,9,10,11)
InChIKeyGYPPGZIPKPFZIB-UHFFFAOYSA-N
XLogP1.12
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-8-nitroquinoline
CID 19592722
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
1,5,9-trinitrotriphenylene
CID 86227277
6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107719391
8-nitro-N-oxoquinoline-4-carboxamide
CID 126516707
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
5-bromo-6-(2-nitrophenyl)sulfanylpyrimidin-4-amine
CID 114073819
2,4-dimethyl-8-nitroquinoline
CID 608736
5-nitroisoquinolin-3-amine
CID 174817453
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
formonitrile;1-nitronaphthalene
CID 174387830

Frequently Asked Questions

What is the IUPAC name of 8-nitroquinazolin-4-amine?
The IUPAC name of 8-nitroquinazolin-4-amine (CID 119088065) is 8-nitroquinazolin-4-amine.
What is the SMILES notation for 8-nitroquinazolin-4-amine?
The canonical SMILES for 8-nitroquinazolin-4-amine is Nc1ncnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 8-nitroquinazolin-4-amine?
The InChIKey is GYPPGZIPKPFZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-8-5-2-1-3-6(12(13)14)7(5)10-4-11-8/h1-4H,(H2,9,10,11).
What are the key properties of 8-nitroquinazolin-4-amine?
8-nitroquinazolin-4-amine has a molecular weight of 190.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitroquinazolin-4-amine is sourced from PubChem (CID 119088065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).