3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene

C19H22N6O — CID 144748804

IUPAC3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene
SMILES[H]/N=C(\N)CCN1c2ccc(N)cc2Cc2cc(OCC#C)ccc21.[H]/N=N/[H]
InChIInChI=1S/C19H20N4O.H2N2/c1-2-9-24-16-4-6-18-14(12-16)10-13-11-15(20)3-5-17(13)23(18)8-7-19(21)22;1-2/h1,3-6,11-12H,7-10,20H2,(H3,21,22);1-2H/b;2-1+
InChIKeyJMRKLXNATUFSGS-WLHGVMLRSA-N
MW350.43 g/mol
LogP3.25
Rot. Bonds5

About 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene

3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene (PubChem CID 144748804) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene.

Molecular Properties

Compound Name3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene
PubChem CID144748804
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene
SMILES[H]/N=C(\N)CCN1c2ccc(N)cc2Cc2cc(OCC#C)ccc21.[H]/N=N/[H]
InChIInChI=1S/C19H20N4O.H2N2/c1-2-9-24-16-4-6-18-14(12-16)10-13-11-15(20)3-5-17(13)23(18)8-7-19(21)22;1-2/h1,3-6,11-12H,7-10,20H2,(H3,21,22);1-2H/b;2-1+
InChIKeyJMRKLXNATUFSGS-WLHGVMLRSA-N
XLogP3.25
TPSA136.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene?
The IUPAC name of 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene (CID 144748804) is 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene.
What is the SMILES notation for 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene?
The canonical SMILES for 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene is [H]/N=C(\N)CCN1c2ccc(N)cc2Cc2cc(OCC#C)ccc21.[H]/N=N/[H].
What is the InChIKey of 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene?
The InChIKey is JMRKLXNATUFSGS-WLHGVMLRSA-N. The full InChI is InChI=1S/C19H20N4O.H2N2/c1-2-9-24-16-4-6-18-14(12-16)10-13-11-15(20)3-5-17(13)23(18)8-7-19(21)22;1-2/h1,3-6,11-12H,7-10,20H2,(H3,21,22);1-2H/b;2-1+.
What are the key properties of 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene?
3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene has a molecular weight of 350.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-7-prop-2-ynoxy-9H-acridin-10-yl)propanimidamide;diazene is sourced from PubChem (CID 144748804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).