5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one

C11H15N3O — CID 57415940

IUPAC5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)NCc2c(N)cccc21
InChIInChI=1S/C11H15N3O/c1-7(2)14-10-5-3-4-9(12)8(10)6-13-11(14)15/h3-5,7H,6,12H2,1-2H3,(H,13,15)
InChIKeyDRNDCEYQANMYAY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.71
Rot. Bonds1

About 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one

5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one (PubChem CID 57415940) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
PubChem CID57415940
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)NCc2c(N)cccc21
InChIInChI=1S/C11H15N3O/c1-7(2)14-10-5-3-4-9(12)8(10)6-13-11(14)15/h3-5,7H,6,12H2,1-2H3,(H,13,15)
InChIKeyDRNDCEYQANMYAY-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one (CID 57415940) is 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one is CC(C)N1C(=O)NCc2c(N)cccc21.
What is the InChIKey of 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is DRNDCEYQANMYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)14-10-5-3-4-9(12)8(10)6-13-11(14)15/h3-5,7H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 57415940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).