4-(4-aminophenoxy)isoquinolin-7-amine

C15H13N3O — CID 66642834

IUPAC4-(4-aminophenoxy)isoquinolin-7-amine
SMILESNc1ccc(Oc2cncc3cc(N)ccc23)cc1
InChIInChI=1S/C15H13N3O/c16-11-1-4-13(5-2-11)19-15-9-18-8-10-7-12(17)3-6-14(10)15/h1-9H,16-17H2
InChIKeyHSCPTJYRXWZTRI-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.19
Rot. Bonds2

About 4-(4-aminophenoxy)isoquinolin-7-amine

4-(4-aminophenoxy)isoquinolin-7-amine (PubChem CID 66642834) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-aminophenoxy)isoquinolin-7-amine.

Molecular Properties

Compound Name4-(4-aminophenoxy)isoquinolin-7-amine
PubChem CID66642834
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(4-aminophenoxy)isoquinolin-7-amine
SMILESNc1ccc(Oc2cncc3cc(N)ccc23)cc1
InChIInChI=1S/C15H13N3O/c16-11-1-4-13(5-2-11)19-15-9-18-8-10-7-12(17)3-6-14(10)15/h1-9H,16-17H2
InChIKeyHSCPTJYRXWZTRI-UHFFFAOYSA-N
XLogP3.19
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6,7-dimethoxyisoquinolin-4-yl)oxyaniline
CID 143309051
6-(4-aminophenoxy)isoquinolin-4-ol
CID 174742458
4-chloroisoquinolin-7-amine
CID 66642706
5-phenoxynaphthalen-2-amine
CID 138739792
4-[4-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253700
4-(4-aminophenoxy)aniline
CID 161415647
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
benzo[f]isoquinolin-8-amine
CID 101109295
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-cinnolin-4-yloxyaniline
CID 63586759

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)isoquinolin-7-amine?
The IUPAC name of 4-(4-aminophenoxy)isoquinolin-7-amine (CID 66642834) is 4-(4-aminophenoxy)isoquinolin-7-amine.
What is the SMILES notation for 4-(4-aminophenoxy)isoquinolin-7-amine?
The canonical SMILES for 4-(4-aminophenoxy)isoquinolin-7-amine is Nc1ccc(Oc2cncc3cc(N)ccc23)cc1.
What is the InChIKey of 4-(4-aminophenoxy)isoquinolin-7-amine?
The InChIKey is HSCPTJYRXWZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-11-1-4-13(5-2-11)19-15-9-18-8-10-7-12(17)3-6-14(10)15/h1-9H,16-17H2.
What are the key properties of 4-(4-aminophenoxy)isoquinolin-7-amine?
4-(4-aminophenoxy)isoquinolin-7-amine has a molecular weight of 251.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)isoquinolin-7-amine is sourced from PubChem (CID 66642834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).