[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea

C22H20N6O2 — CID 11821082

IUPAC[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
SMILESCOc1ccc2nc3ccccc3c(Nc3ccc(/C(N)=N/NC(N)=O)cc3)c2c1
InChIInChI=1S/C22H20N6O2/c1-30-15-10-11-19-17(12-15)20(16-4-2-3-5-18(16)26-19)25-14-8-6-13(7-9-14)21(23)27-28-22(24)29/h2-12H,1H3,(H2,23,27)(H,25,26)(H3,24,28,29)
InChIKeyBHTZSGGZOGLFMS-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.43
Rot. Bonds5

About [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea

[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea (PubChem CID 11821082) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
PubChem CID11821082
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
SMILESCOc1ccc2nc3ccccc3c(Nc3ccc(/C(N)=N/NC(N)=O)cc3)c2c1
InChIInChI=1S/C22H20N6O2/c1-30-15-10-11-19-17(12-15)20(16-4-2-3-5-18(16)26-19)25-14-8-6-13(7-9-14)21(23)27-28-22(24)29/h2-12H,1H3,(H2,23,27)(H,25,26)(H3,24,28,29)
InChIKeyBHTZSGGZOGLFMS-UHFFFAOYSA-N
XLogP3.43
TPSA127.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
The IUPAC name of [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea (CID 11821082) is [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea.
What is the SMILES notation for [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
The canonical SMILES for [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea is COc1ccc2nc3ccccc3c(Nc3ccc(/C(N)=N/NC(N)=O)cc3)c2c1.
What is the InChIKey of [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
The InChIKey is BHTZSGGZOGLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-30-15-10-11-19-17(12-15)20(16-4-2-3-5-18(16)26-19)25-14-8-6-13(7-9-14)21(23)27-28-22(24)29/h2-12H,1H3,(H2,23,27)(H,25,26)(H3,24,28,29).
What are the key properties of [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea has a molecular weight of 400.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea is sourced from PubChem (CID 11821082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).