2-amino-6-nitro-6H-quinazolin-4-one

C8H6N4O3 — CID 76845153

IUPAC2-amino-6-nitro-6H-quinazolin-4-one
SMILESNC1=NC(=O)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-4H,(H2,9,11,13)
InChIKeyVXJQJBRTQIGMIJ-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.58
Rot. Bonds1

About 2-amino-6-nitro-6H-quinazolin-4-one

2-amino-6-nitro-6H-quinazolin-4-one (PubChem CID 76845153) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-amino-6-nitro-6H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-nitro-6H-quinazolin-4-one
PubChem CID76845153
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name2-amino-6-nitro-6H-quinazolin-4-one
SMILESNC1=NC(=O)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-4H,(H2,9,11,13)
InChIKeyVXJQJBRTQIGMIJ-UHFFFAOYSA-N
XLogP-0.58
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.58
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

4-chloro-6-nitro-6H-quinolin-2-one
CID 76845380
6-nitro-4-oxo-6H-quinoline-2-carboxylic acid
CID 76845640
2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one
CID 165416594
2-nitropyrrolo[2,3-d]pyrimidin-4-one
CID 90746023
7-nitro-4aH-quinolin-2-one
CID 74029554
5,8-dinitrocycloocta-1,3,6-triene
CID 71350122
6-nitro-3aH-benzotriazole
CID 53400542
(3aR,7aR)-6-nitro-1,2,3a,7a-tetrahydroindazol-3-one
CID 124848141
2-methyl-5aH-benzo[g]quinazolin-4-one
CID 76845217
3-nitrocyclohepta-2,4,6-triene-1,2-diamine
CID 143416532
3-nitro-N-(pyridin-2-ylmethyl)-3H-pyridin-6-imine
CID 178189598
4-methoxy-2-nitrocyclohexa-2,5-dien-1-one
CID 100936302

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-nitro-6H-quinazolin-4-one?
The IUPAC name of 2-amino-6-nitro-6H-quinazolin-4-one (CID 76845153) is 2-amino-6-nitro-6H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-nitro-6H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-nitro-6H-quinazolin-4-one is NC1=NC(=O)C2=CC([N+](=O)[O-])C=CC2=N1.
What is the InChIKey of 2-amino-6-nitro-6H-quinazolin-4-one?
The InChIKey is VXJQJBRTQIGMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-4H,(H2,9,11,13).
What are the key properties of 2-amino-6-nitro-6H-quinazolin-4-one?
2-amino-6-nitro-6H-quinazolin-4-one has a molecular weight of 206.16 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-nitro-6H-quinazolin-4-one is sourced from PubChem (CID 76845153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).