2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one

C13H17N3O2 — CID 136767041

IUPAC2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
SMILESCC(C)(N)COCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O2/c1-13(2,14)8-18-7-11-15-10-6-4-3-5-9(10)12(17)16-11/h3-6H,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyMSFMLBOOAIIXAU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.18
Rot. Bonds4

About 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one

2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one (PubChem CID 136767041) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
PubChem CID136767041
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
SMILESCC(C)(N)COCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O2/c1-13(2,14)8-18-7-11-15-10-6-4-3-5-9(10)12(17)16-11/h3-6H,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyMSFMLBOOAIIXAU-UHFFFAOYSA-N
XLogP1.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-methylpropoxy)methyl]-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

Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
(4-oxo-3H-quinazolin-2-yl)methyl 2-(butylamino)benzoate
CID 135734780
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 135723687
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one
CID 136767082

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one (CID 136767041) is 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one is CC(C)(N)COCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one?
The InChIKey is MSFMLBOOAIIXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,14)8-18-7-11-15-10-6-4-3-5-9(10)12(17)16-11/h3-6H,7-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one?
2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one has a molecular weight of 247.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136767041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).