N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine

C19H19N3O3 — CID 154851439

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine
SMILESCOc1cccc2c(N(C)CC3COc4ccccc4O3)ncnc12
InChIInChI=1S/C19H19N3O3/c1-22(10-13-11-24-15-7-3-4-8-16(15)25-13)19-14-6-5-9-17(23-2)18(14)20-12-21-19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyUFRYFQBNKGNPNA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.91
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine (PubChem CID 154851439) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine
PubChem CID154851439
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine
SMILESCOc1cccc2c(N(C)CC3COc4ccccc4O3)ncnc12
InChIInChI=1S/C19H19N3O3/c1-22(10-13-11-24-15-7-3-4-8-16(15)25-13)19-14-6-5-9-17(23-2)18(14)20-12-21-19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyUFRYFQBNKGNPNA-UHFFFAOYSA-N
XLogP2.91
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 124872549
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine
CID 154851427
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 142524925
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-3H-quinazolin-4-one
CID 136816752
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-nitroquinolin-8-amine
CID 55532599
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methoxy-N-methylanilino)acetamide
CID 60505460
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methoxyphenyl)urea
CID 51168449
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
CID 126771566
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 72927693
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3,4-trimethoxybenzamide
CID 3143895

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine (CID 154851439) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine is COc1cccc2c(N(C)CC3COc4ccccc4O3)ncnc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine?
The InChIKey is UFRYFQBNKGNPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22(10-13-11-24-15-7-3-4-8-16(15)25-13)19-14-6-5-9-17(23-2)18(14)20-12-21-19/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine is sourced from PubChem (CID 154851439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).