N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine

C17H15N3O2S — CID 10471556

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine
SMILESCSc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C17H15N3O2S/c1-23-12-3-4-14-13(7-12)17(20-9-19-14)18-8-11-2-5-15-16(6-11)22-10-21-15/h2-7,9H,8,10H2,1H3,(H,18,19,20)
InChIKeyZSNLDKXJGHWPBO-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.69
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine (PubChem CID 10471556) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine
PubChem CID10471556
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine
SMILESCSc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C17H15N3O2S/c1-23-12-3-4-14-13(7-12)17(20-9-19-14)18-8-11-2-5-15-16(6-11)22-10-21-15/h2-7,9H,8,10H2,1H3,(H,18,19,20)
InChIKeyZSNLDKXJGHWPBO-UHFFFAOYSA-N
XLogP3.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine 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

6-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3232621
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4-yl)methyl)quinazolin-4-amine
CID 44223952
4-(3-Methylsulfanylanilino)-6,7-Dimethoxyquinazoline
CID 1714
N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide
CID 9890746
6-(benzo[d][1,3]dioxol-5-yl)-N-neopentylquinazolin-4-amine
CID 46916176
Benzo[1,3]dioxol-5-ylmethyl-quinazolin-4-yl-amine
CID 10356247
6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydrofuran-3-yl)methyl)quinazolin-4-amine
CID 46916178
N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-quinazolinamine
CID 1490272
6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 1474878
N-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-4-quinazolinamine
CID 1490247
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine
CID 1713

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine (CID 10471556) is N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine is CSc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine?
The InChIKey is ZSNLDKXJGHWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23-12-3-4-14-13(7-12)17(20-9-19-14)18-8-11-2-5-15-16(6-11)22-10-21-15/h2-7,9H,8,10H2,1H3,(H,18,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine has a molecular weight of 325.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfanylquinazolin-4-amine is sourced from PubChem (CID 10471556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).