6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine

C20H21N3O2 — CID 46916176

IUPAC6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine
SMILESCC(C)(C)CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C20H21N3O2/c1-20(2,3)10-21-19-15-8-13(4-6-16(15)22-11-23-19)14-5-7-17-18(9-14)25-12-24-17/h4-9,11H,10,12H2,1-3H3,(H,21,22,23)
InChIKeyOSWHZHVVVZAPRN-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.48
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine

6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine (PubChem CID 46916176) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine
PubChem CID46916176
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine
SMILESCC(C)(C)CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C20H21N3O2/c1-20(2,3)10-21-19-15-8-13(4-6-16(15)22-11-23-19)14-5-7-17-18(9-14)25-12-24-17/h4-9,11H,10,12H2,1-3H3,(H,21,22,23)
InChIKeyOSWHZHVVVZAPRN-UHFFFAOYSA-N
XLogP4.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine (CID 46916176) is 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine is CC(C)(C)CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine?
The InChIKey is OSWHZHVVVZAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)10-21-19-15-8-13(4-6-16(15)22-11-23-19)14-5-7-17-18(9-14)25-12-24-17/h4-9,11H,10,12H2,1-3H3,(H,21,22,23).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine?
6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine is sourced from PubChem (CID 46916176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).