6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine

C20H19N3O3 — CID 46916178

IUPAC6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine
SMILESc1nc(NCC2CCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C20H19N3O3/c1-3-17-16(20(23-11-22-17)21-9-13-5-6-24-10-13)7-14(1)15-2-4-18-19(8-15)26-12-25-18/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22,23)
InChIKeyADJWQFUAOONPHD-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.47
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine

6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine (PubChem CID 46916178) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine
PubChem CID46916178
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine
SMILESc1nc(NCC2CCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C20H19N3O3/c1-3-17-16(20(23-11-22-17)21-9-13-5-6-24-10-13)7-14(1)15-2-4-18-19(8-15)26-12-25-18/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22,23)
InChIKeyADJWQFUAOONPHD-UHFFFAOYSA-N
XLogP3.47
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.47
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
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4-yl)methyl)quinazolin-4-amine
CID 44223952
N-(1,3-benzodioxol-5-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330192
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
7-(1,3-Benzodioxol-5-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531722
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
3-[[5-(1,3-Benzodioxol-5-yl)-[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino]propan-1-ol
CID 118706214

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine (CID 46916178) is 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine is c1nc(NCC2CCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
The InChIKey is ADJWQFUAOONPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-17-16(20(23-11-22-17)21-9-13-5-6-24-10-13)7-14(1)15-2-4-18-19(8-15)26-12-25-18/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22,23).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine has a molecular weight of 349.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(oxolan-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 46916178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).