N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine

C20H14N4O2 — CID 2571786

IUPACN-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1
InChIInChI=1S/C20H14N4O2/c1-2-6-16-15(5-1)20(24-19(23-16)13-4-3-9-21-11-13)22-14-7-8-17-18(10-14)26-12-25-17/h1-11H,12H2,(H,22,23,24)
InChIKeyAHUINCDXGAORAX-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.16
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine

N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 2571786) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID2571786
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1
InChIInChI=1S/C20H14N4O2/c1-2-6-16-15(5-1)20(24-19(23-16)13-4-3-9-21-11-13)22-14-7-8-17-18(10-14)26-12-25-17/h1-11H,12H2,(H,22,23,24)
InChIKeyAHUINCDXGAORAX-UHFFFAOYSA-N
XLogP4.16
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine (CID 2571786) is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine is c1cncc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is AHUINCDXGAORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-2-6-16-15(5-1)20(24-19(23-16)13-4-3-9-21-11-13)22-14-7-8-17-18(10-14)26-12-25-17/h1-11H,12H2,(H,22,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine?
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 342.36 g/mol, XLogP of 4.16, 3 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-yl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 2571786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).