6-amino-3-(oxan-4-yl)quinazolin-4-one

C13H15N3O2 — CID 170377229

IUPAC6-amino-3-(oxan-4-yl)quinazolin-4-one
SMILESNc1ccc2ncn(C3CCOCC3)c(=O)c2c1
InChIInChI=1S/C13H15N3O2/c14-9-1-2-12-11(7-9)13(17)16(8-15-12)10-3-5-18-6-4-10/h1-2,7-8,10H,3-6,14H2
InChIKeyJNAHXOHMKFCWET-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.33
Rot. Bonds1

About 6-amino-3-(oxan-4-yl)quinazolin-4-one

6-amino-3-(oxan-4-yl)quinazolin-4-one (PubChem CID 170377229) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-amino-3-(oxan-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-(oxan-4-yl)quinazolin-4-one
PubChem CID170377229
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-amino-3-(oxan-4-yl)quinazolin-4-one
SMILESNc1ccc2ncn(C3CCOCC3)c(=O)c2c1
InChIInChI=1S/C13H15N3O2/c14-9-1-2-12-11(7-9)13(17)16(8-15-12)10-3-5-18-6-4-10/h1-2,7-8,10H,3-6,14H2
InChIKeyJNAHXOHMKFCWET-UHFFFAOYSA-N
XLogP1.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(oxan-4-yl)quinazolin-4-one?
The IUPAC name of 6-amino-3-(oxan-4-yl)quinazolin-4-one (CID 170377229) is 6-amino-3-(oxan-4-yl)quinazolin-4-one.
What is the SMILES notation for 6-amino-3-(oxan-4-yl)quinazolin-4-one?
The canonical SMILES for 6-amino-3-(oxan-4-yl)quinazolin-4-one is Nc1ccc2ncn(C3CCOCC3)c(=O)c2c1.
What is the InChIKey of 6-amino-3-(oxan-4-yl)quinazolin-4-one?
The InChIKey is JNAHXOHMKFCWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-1-2-12-11(7-9)13(17)16(8-15-12)10-3-5-18-6-4-10/h1-2,7-8,10H,3-6,14H2.
What are the key properties of 6-amino-3-(oxan-4-yl)quinazolin-4-one?
6-amino-3-(oxan-4-yl)quinazolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(oxan-4-yl)quinazolin-4-one is sourced from PubChem (CID 170377229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).