6-amino-2-cycloheptyloxy-3H-quinazolin-4-one

C15H19N3O2 — CID 136809510

IUPAC6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
SMILESNc1ccc2nc(OC3CCCCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N3O2/c16-10-7-8-13-12(9-10)14(19)18-15(17-13)20-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H,17,18,19)
InChIKeyDDSHMGXVGSKHQE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.61
Rot. Bonds2

About 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one

6-amino-2-cycloheptyloxy-3H-quinazolin-4-one (PubChem CID 136809510) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
PubChem CID136809510
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
SMILESNc1ccc2nc(OC3CCCCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N3O2/c16-10-7-8-13-12(9-10)14(19)18-15(17-13)20-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H,17,18,19)
InChIKeyDDSHMGXVGSKHQE-UHFFFAOYSA-N
XLogP2.61
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
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-2-cycloheptyloxy-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one (CID 136809510) is 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one is Nc1ccc2nc(OC3CCCCCC3)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one?
The InChIKey is DDSHMGXVGSKHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-7-8-13-12(9-10)14(19)18-15(17-13)20-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H,17,18,19).
What are the key properties of 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one?
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one has a molecular weight of 273.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-cycloheptyloxy-3H-quinazolin-4-one is sourced from PubChem (CID 136809510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).