6-amino-3-propan-2-ylquinazolin-4-one

C11H13N3O — CID 16641534

IUPAC6-amino-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2ccc(N)cc2c1=O
InChIInChI=1S/C11H13N3O/c1-7(2)14-6-13-10-4-3-8(12)5-9(10)11(14)15/h3-7H,12H2,1-2H3
InChIKeyDFLMREXNJDPURX-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.56
Rot. Bonds1

About 6-amino-3-propan-2-ylquinazolin-4-one

6-amino-3-propan-2-ylquinazolin-4-one (PubChem CID 16641534) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-amino-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-propan-2-ylquinazolin-4-one
PubChem CID16641534
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-amino-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2ccc(N)cc2c1=O
InChIInChI=1S/C11H13N3O/c1-7(2)14-6-13-10-4-3-8(12)5-9(10)11(14)15/h3-7H,12H2,1-2H3
InChIKeyDFLMREXNJDPURX-UHFFFAOYSA-N
XLogP1.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 6-amino-3-propan-2-ylquinazolin-4-one (CID 16641534) is 6-amino-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 6-amino-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 6-amino-3-propan-2-ylquinazolin-4-one is CC(C)n1cnc2ccc(N)cc2c1=O.
What is the InChIKey of 6-amino-3-propan-2-ylquinazolin-4-one?
The InChIKey is DFLMREXNJDPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)14-6-13-10-4-3-8(12)5-9(10)11(14)15/h3-7H,12H2,1-2H3.
What are the key properties of 6-amino-3-propan-2-ylquinazolin-4-one?
6-amino-3-propan-2-ylquinazolin-4-one has a molecular weight of 203.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 16641534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).