2-amino-8-methyl-3H-quinazolin-4-one

C9H9N3O — CID 135460982

IUPAC2-amino-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(N)nc12
InChIInChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyNLLZAHIPYDRNRQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds

About 2-amino-8-methyl-3H-quinazolin-4-one

2-amino-8-methyl-3H-quinazolin-4-one (PubChem CID 135460982) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-amino-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-8-methyl-3H-quinazolin-4-one
PubChem CID135460982
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-amino-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(N)nc12
InChIInChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyNLLZAHIPYDRNRQ-UHFFFAOYSA-N
XLogP0.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-amino-8-methyl-3H-quinazolin-4-one (CID 135460982) is 2-amino-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-8-methyl-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(N)nc12.
What is the InChIKey of 2-amino-8-methyl-3H-quinazolin-4-one?
The InChIKey is NLLZAHIPYDRNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13).
What are the key properties of 2-amino-8-methyl-3H-quinazolin-4-one?
2-amino-8-methyl-3H-quinazolin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135460982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).