6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one

C15H20N4O2 — CID 136809550

IUPAC6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one
SMILESCN1CCCCC1COc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-19-7-3-2-4-11(19)9-21-15-17-13-6-5-10(16)8-12(13)14(20)18-15/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,18,20)
InChIKeyZAWYYHTXUDMBKP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds3

About 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one

6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one (PubChem CID 136809550) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one
PubChem CID136809550
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one
SMILESCN1CCCCC1COc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-19-7-3-2-4-11(19)9-21-15-17-13-6-5-10(16)8-12(13)14(20)18-15/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,18,20)
InChIKeyZAWYYHTXUDMBKP-UHFFFAOYSA-N
XLogP1.37
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one (CID 136809550) is 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one is CN1CCCCC1COc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one?
The InChIKey is ZAWYYHTXUDMBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-7-3-2-4-11(19)9-21-15-17-13-6-5-10(16)8-12(13)14(20)18-15/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,18,20).
What are the key properties of 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one?
6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 136809550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).