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

C17H13N5O — CID 24777024

IUPAC5-isoquinolin-5-yloxyquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3cccc4cnccc34)cccc2n1
InChIInChI=1S/C17H13N5O/c18-16-15-12(21-17(19)22-16)4-2-6-14(15)23-13-5-1-3-10-9-20-8-7-11(10)13/h1-9H,(H4,18,19,21,22)
InChIKeyRMHJMWZLZZGSGZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.13
Rot. Bonds2

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

5-isoquinolin-5-yloxyquinazoline-2,4-diamine (PubChem CID 24777024) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-isoquinolin-5-yloxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-isoquinolin-5-yloxyquinazoline-2,4-diamine
PubChem CID24777024
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-isoquinolin-5-yloxyquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3cccc4cnccc34)cccc2n1
InChIInChI=1S/C17H13N5O/c18-16-15-12(21-17(19)22-16)4-2-6-14(15)23-13-5-1-3-10-9-20-8-7-11(10)13/h1-9H,(H4,18,19,21,22)
InChIKeyRMHJMWZLZZGSGZ-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

Analyze 5-isoquinolin-5-yloxyquinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenoxyquinazoline-2,4-diamine
CID 4308266
2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol
CID 69360131
5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
CID 15551242
4-quinolin-5-yloxypyridin-3-amine
CID 103043914
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
4-N-(3,5-dichloro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 22324298
(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857
ethane;isoquinolin-5-amine
CID 143675367
isoquinolin-5-yl trifluoromethanesulfonate
CID 15171927
5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine
CID 25003846
CID 159683901
CID 159683901

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-5-yloxyquinazoline-2,4-diamine?
The IUPAC name of 5-isoquinolin-5-yloxyquinazoline-2,4-diamine (CID 24777024) is 5-isoquinolin-5-yloxyquinazoline-2,4-diamine.
What is the SMILES notation for 5-isoquinolin-5-yloxyquinazoline-2,4-diamine?
The canonical SMILES for 5-isoquinolin-5-yloxyquinazoline-2,4-diamine is Nc1nc(N)c2c(Oc3cccc4cnccc34)cccc2n1.
What is the InChIKey of 5-isoquinolin-5-yloxyquinazoline-2,4-diamine?
The InChIKey is RMHJMWZLZZGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-16-15-12(21-17(19)22-16)4-2-6-14(15)23-13-5-1-3-10-9-20-8-7-11(10)13/h1-9H,(H4,18,19,21,22).
What are the key properties of 5-isoquinolin-5-yloxyquinazoline-2,4-diamine?
5-isoquinolin-5-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-5-yloxyquinazoline-2,4-diamine is sourced from PubChem (CID 24777024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).