6-amino-6H-quinazolin-4-one

C8H7N3O — CID 71303901

IUPAC6-amino-6H-quinazolin-4-one
SMILESNC1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C8H7N3O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-5H,9H2
InChIKeyRKKRTXJMBKINIX-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.18
Rot. Bonds

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

6-amino-6H-quinazolin-4-one (PubChem CID 71303901) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-amino-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-6H-quinazolin-4-one
PubChem CID71303901
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name6-amino-6H-quinazolin-4-one
SMILESNC1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C8H7N3O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-5H,9H2
InChIKeyRKKRTXJMBKINIX-UHFFFAOYSA-N
XLogP-0.18
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6H-quinazolin-4-one
CID 90958016
6-fluoro-6H-quinazolin-4-one
CID 71303964
Cyclopenta[g]quinazolin-4-one
CID 160715150
6H-quinazolin-4-one
CID 165178648
3-oxido-6H-quinazolin-3-ium-4-one
CID 21530174
6-iodo-6H-quinazolin-4-one
CID 72207379
4-oxo-6H-quinazoline-6-carbonitrile
CID 72737857
6-amino-2-methoxy-6H-quinazolin-4-one
CID 73762395
6-Methylidenequinazolin-4-one
CID 73795355
2-Amino-6-methylidenequinazolin-4-one
CID 76844596
2-amino-6-iodo-6H-quinazolin-4-one
CID 77391520
6-Ethenylidenequinazolin-4-one
CID 77605376

Frequently Asked Questions

What is the IUPAC name of 6-amino-6H-quinazolin-4-one?
The IUPAC name of 6-amino-6H-quinazolin-4-one (CID 71303901) is 6-amino-6H-quinazolin-4-one.
What is the SMILES notation for 6-amino-6H-quinazolin-4-one?
The canonical SMILES for 6-amino-6H-quinazolin-4-one is NC1C=CC2=NC=NC(=O)C2=C1.
What is the InChIKey of 6-amino-6H-quinazolin-4-one?
The InChIKey is RKKRTXJMBKINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-5H,9H2.
What are the key properties of 6-amino-6H-quinazolin-4-one?
6-amino-6H-quinazolin-4-one has a molecular weight of 161.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6H-quinazolin-4-one is sourced from PubChem (CID 71303901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).