3-amino-2-methyl-1,2-dihydroquinazolin-4-one

C9H11N3O — CID 126639334

IUPAC3-amino-2-methyl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccccc2C(=O)N1N
InChIInChI=1S/C9H11N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-6,11H,10H2,1H3
InChIKeyCIWQDFIRBCPTSL-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.77
Rot. Bonds

About 3-amino-2-methyl-1,2-dihydroquinazolin-4-one

3-amino-2-methyl-1,2-dihydroquinazolin-4-one (PubChem CID 126639334) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-amino-2-methyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-1,2-dihydroquinazolin-4-one
PubChem CID126639334
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-amino-2-methyl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccccc2C(=O)N1N
InChIInChI=1S/C9H11N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-6,11H,10H2,1H3
InChIKeyCIWQDFIRBCPTSL-UHFFFAOYSA-N
XLogP0.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-amino-2-methyl-1,2-dihydroquinazolin-4-one (CID 126639334) is 3-amino-2-methyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-amino-2-methyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-amino-2-methyl-1,2-dihydroquinazolin-4-one is CC1Nc2ccccc2C(=O)N1N.
What is the InChIKey of 3-amino-2-methyl-1,2-dihydroquinazolin-4-one?
The InChIKey is CIWQDFIRBCPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-6,11H,10H2,1H3.
What are the key properties of 3-amino-2-methyl-1,2-dihydroquinazolin-4-one?
3-amino-2-methyl-1,2-dihydroquinazolin-4-one has a molecular weight of 177.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 126639334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).