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

C17H15N3O3S — CID 10405045

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine
SMILESCS(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C17H15N3O3S/c1-24(21)12-3-4-14-13(7-12)17(20-9-19-14)18-8-11-2-5-15-16(6-11)23-10-22-15/h2-7,9H,8,10H2,1H3,(H,18,19,20)
InChIKeyHXFSDKCYEYWYSO-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.71
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine (PubChem CID 10405045) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine
PubChem CID10405045
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine
SMILESCS(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C17H15N3O3S/c1-24(21)12-3-4-14-13(7-12)17(20-9-19-14)18-8-11-2-5-15-16(6-11)23-10-22-15/h2-7,9H,8,10H2,1H3,(H,18,19,20)
InChIKeyHXFSDKCYEYWYSO-UHFFFAOYSA-N
XLogP2.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3232621
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
N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-quinazolinamine
CID 1490272
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine
CID 1713
N-(1,3-benzodioxol-5-ylmethyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 2809722
6-(1,3-benzodioxol-5-yl)-N-methylquinazolin-4-amine
CID 3233354
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234028
6-(1,3-benzodioxol-5-yl)-N-benzylquinazolin-4-amine
CID 3234192
N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
CID 6610310

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine (CID 10405045) is N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine is CS(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine?
The InChIKey is HXFSDKCYEYWYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-24(21)12-3-4-14-13(7-12)17(20-9-19-14)18-8-11-2-5-15-16(6-11)23-10-22-15/h2-7,9H,8,10H2,1H3,(H,18,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-6-methylsulfinylquinazolin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 2.71, 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-methylsulfinylquinazolin-4-amine is sourced from PubChem (CID 10405045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).