N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine

C15H19N3OS — CID 104755502

IUPACN-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
SMILESCNC(CSc1ncnc2ccccc12)C1CCOC1
InChIInChI=1S/C15H19N3OS/c1-16-14(11-6-7-19-8-11)9-20-15-12-4-2-3-5-13(12)17-10-18-15/h2-5,10-11,14,16H,6-9H2,1H3
InChIKeyVVVHNBNLTBEMNG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine

N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine (PubChem CID 104755502) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
PubChem CID104755502
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
SMILESCNC(CSc1ncnc2ccccc12)C1CCOC1
InChIInChI=1S/C15H19N3OS/c1-16-14(11-6-7-19-8-11)9-20-15-12-4-2-3-5-13(12)17-10-18-15/h2-5,10-11,14,16H,6-9H2,1H3
InChIKeyVVVHNBNLTBEMNG-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine 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

N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
CID 64632868
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
CID 62577012
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113449572
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
N-[2-(1H-benzimidazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755266

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine (CID 104755502) is N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine is CNC(CSc1ncnc2ccccc12)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine?
The InChIKey is VVVHNBNLTBEMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-16-14(11-6-7-19-8-11)9-20-15-12-4-2-3-5-13(12)17-10-18-15/h2-5,10-11,14,16H,6-9H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine?
N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine is sourced from PubChem (CID 104755502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).