4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one

C12H15N3O2 — CID 105492755

IUPAC4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one
SMILESCOc1ccc2nc(=O)[nH]c(CC(C)N)c2c1
InChIInChI=1S/C12H15N3O2/c1-7(13)5-11-9-6-8(17-2)3-4-10(9)14-12(16)15-11/h3-4,6-7H,5,13H2,1-2H3,(H,14,15,16)
InChIKeyVAJVOSOWKYYBHZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.82
Rot. Bonds3

About 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one

4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one (PubChem CID 105492755) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one
PubChem CID105492755
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one
SMILESCOc1ccc2nc(=O)[nH]c(CC(C)N)c2c1
InChIInChI=1S/C12H15N3O2/c1-7(13)5-11-9-6-8(17-2)3-4-10(9)14-12(16)15-11/h3-4,6-7H,5,13H2,1-2H3,(H,14,15,16)
InChIKeyVAJVOSOWKYYBHZ-UHFFFAOYSA-N
XLogP0.82
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-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

(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
CID 70287691
1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
4-fluoro-6-methoxy-3H-quinazolin-2-one
CID 70521421
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
6-methoxy-2H-1,2,4-benzotriazin-3-one
CID 68817274
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
1-(6-methoxy-2-methylquinazolin-4-yl)ethanamine
CID 105471312
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one?
The IUPAC name of 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one (CID 105492755) is 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one.
What is the SMILES notation for 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one?
The canonical SMILES for 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one is COc1ccc2nc(=O)[nH]c(CC(C)N)c2c1.
What is the InChIKey of 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one?
The InChIKey is VAJVOSOWKYYBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(13)5-11-9-6-8(17-2)3-4-10(9)14-12(16)15-11/h3-4,6-7H,5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one?
4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one is sourced from PubChem (CID 105492755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).