8-amino-7-methyl-8H-quinazolin-4-one

C9H9N3O — CID 71304069

IUPAC8-amino-7-methyl-8H-quinazolin-4-one
SMILESCC1=CC=C2C(=O)N=CN=C2C1N
InChIInChI=1S/C9H9N3O/c1-5-2-3-6-8(7(5)10)11-4-12-9(6)13/h2-4,7H,10H2,1H3
InChIKeyGFGQZBRZNWFKHV-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.21
Rot. Bonds

About 8-amino-7-methyl-8H-quinazolin-4-one

8-amino-7-methyl-8H-quinazolin-4-one (PubChem CID 71304069) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 8-amino-7-methyl-8H-quinazolin-4-one.

Molecular Properties

Compound Name8-amino-7-methyl-8H-quinazolin-4-one
PubChem CID71304069
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name8-amino-7-methyl-8H-quinazolin-4-one
SMILESCC1=CC=C2C(=O)N=CN=C2C1N
InChIInChI=1S/C9H9N3O/c1-5-2-3-6-8(7(5)10)11-4-12-9(6)13/h2-4,7H,10H2,1H3
InChIKeyGFGQZBRZNWFKHV-UHFFFAOYSA-N
XLogP0.21
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-methyl-5H-isoquinolin-1-one;ethane
CID 123220360
6,7-dimethyl-8H-quinazolin-4-one
CID 123737560
5-amino-5H-isoquinolin-1-one
CID 44483312
8-iodo-7-methyl-8H-quinazolin-4-one
CID 71304100
5-amino-3-methyl-5H-isoquinolin-1-one
CID 75965953
2-(Methylaminomethyl)-8-methylidenequinazolin-4-one
CID 76194542
5-amino-6-methyl-5H-isoquinolin-1-one
CID 123220361

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-methyl-8H-quinazolin-4-one?
The IUPAC name of 8-amino-7-methyl-8H-quinazolin-4-one (CID 71304069) is 8-amino-7-methyl-8H-quinazolin-4-one.
What is the SMILES notation for 8-amino-7-methyl-8H-quinazolin-4-one?
The canonical SMILES for 8-amino-7-methyl-8H-quinazolin-4-one is CC1=CC=C2C(=O)N=CN=C2C1N.
What is the InChIKey of 8-amino-7-methyl-8H-quinazolin-4-one?
The InChIKey is GFGQZBRZNWFKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-2-3-6-8(7(5)10)11-4-12-9(6)13/h2-4,7H,10H2,1H3.
What are the key properties of 8-amino-7-methyl-8H-quinazolin-4-one?
8-amino-7-methyl-8H-quinazolin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methyl-8H-quinazolin-4-one is sourced from PubChem (CID 71304069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).