N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine

C17H14N2O3 — CID 154343278

IUPACN-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(Nc3cccc4c3OCO4)c2c1
InChIInChI=1S/C17H14N2O3/c1-20-11-5-6-13-12(9-11)14(7-8-18-13)19-15-3-2-4-16-17(15)22-10-21-16/h2-9H,10H2,1H3,(H,18,19)
InChIKeyCHWOWFBTBHNCPQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.72
Rot. Bonds3

About N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine

N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine (PubChem CID 154343278) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine
PubChem CID154343278
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(Nc3cccc4c3OCO4)c2c1
InChIInChI=1S/C17H14N2O3/c1-20-11-5-6-13-12(9-11)14(7-8-18-13)19-15-3-2-4-16-17(15)22-10-21-16/h2-9H,10H2,1H3,(H,18,19)
InChIKeyCHWOWFBTBHNCPQ-UHFFFAOYSA-N
XLogP3.72
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine (CID 154343278) is N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine is COc1ccc2nccc(Nc3cccc4c3OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine?
The InChIKey is CHWOWFBTBHNCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-20-11-5-6-13-12(9-11)14(7-8-18-13)19-15-3-2-4-16-17(15)22-10-21-16/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine?
N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine has a molecular weight of 294.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine is sourced from PubChem (CID 154343278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).