5-isoquinolin-6-yloxyquinazoline-2,4-diamine

C17H13N5O — CID 24777666

IUPAC5-isoquinolin-6-yloxyquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3ccc4cnccc4c3)cccc2n1
InChIInChI=1S/C17H13N5O/c18-16-15-13(21-17(19)22-16)2-1-3-14(15)23-12-5-4-11-9-20-7-6-10(11)8-12/h1-9H,(H4,18,19,21,22)
InChIKeyZJUWEHSHWGLFGY-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.13
Rot. Bonds2

About 5-isoquinolin-6-yloxyquinazoline-2,4-diamine

5-isoquinolin-6-yloxyquinazoline-2,4-diamine (PubChem CID 24777666) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-isoquinolin-6-yloxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-isoquinolin-6-yloxyquinazoline-2,4-diamine
PubChem CID24777666
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-isoquinolin-6-yloxyquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3ccc4cnccc4c3)cccc2n1
InChIInChI=1S/C17H13N5O/c18-16-15-13(21-17(19)22-16)2-1-3-14(15)23-12-5-4-11-9-20-7-6-10(11)8-12/h1-9H,(H4,18,19,21,22)
InChIKeyZJUWEHSHWGLFGY-UHFFFAOYSA-N
XLogP3.13
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-6-yloxyquinazoline-2,4-diamine?
The IUPAC name of 5-isoquinolin-6-yloxyquinazoline-2,4-diamine (CID 24777666) is 5-isoquinolin-6-yloxyquinazoline-2,4-diamine.
What is the SMILES notation for 5-isoquinolin-6-yloxyquinazoline-2,4-diamine?
The canonical SMILES for 5-isoquinolin-6-yloxyquinazoline-2,4-diamine is Nc1nc(N)c2c(Oc3ccc4cnccc4c3)cccc2n1.
What is the InChIKey of 5-isoquinolin-6-yloxyquinazoline-2,4-diamine?
The InChIKey is ZJUWEHSHWGLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-16-15-13(21-17(19)22-16)2-1-3-14(15)23-12-5-4-11-9-20-7-6-10(11)8-12/h1-9H,(H4,18,19,21,22).
What are the key properties of 5-isoquinolin-6-yloxyquinazoline-2,4-diamine?
5-isoquinolin-6-yloxyquinazoline-2,4-diamine has a molecular weight of 303.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-6-yloxyquinazoline-2,4-diamine is sourced from PubChem (CID 24777666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).