[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea

C22H19ClN6O2 — CID 11821083

IUPAC[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(/C(N)=N/NC(N)=O)cc3)c2c1
InChIInChI=1S/C22H19ClN6O2/c1-31-15-7-9-18-17(11-15)20(16-8-4-13(23)10-19(16)27-18)26-14-5-2-12(3-6-14)21(24)28-29-22(25)30/h2-11H,1H3,(H2,24,28)(H,26,27)(H3,25,29,30)
InChIKeyLGYQCOZSESINEQ-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.08
Rot. Bonds5

About [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea

[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea (PubChem CID 11821083) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
PubChem CID11821083
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(/C(N)=N/NC(N)=O)cc3)c2c1
InChIInChI=1S/C22H19ClN6O2/c1-31-15-7-9-18-17(11-15)20(16-8-4-13(23)10-19(16)27-18)26-14-5-2-12(3-6-14)21(24)28-29-22(25)30/h2-11H,1H3,(H2,24,28)(H,26,27)(H3,25,29,30)
InChIKeyLGYQCOZSESINEQ-UHFFFAOYSA-N
XLogP4.08
TPSA127.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.08
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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Related Compounds

[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821082
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-ethylphenol
CID 155402944
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46186895
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 5270854
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
2-amino-N'-(6-chloro-2-methoxyacridin-9-yl)propanehydrazide
CID 14162077
3-[4-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]piperazin-1-yl]propan-1-ol
CID 90671328
3-[4-[[5-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-hydroxyphenyl]methyl]piperazin-1-yl]-2,2-dimethylpropanamide
CID 155402943
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
2-[[4-(2-aminoethyl)piperazin-1-yl]methyl]-4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenol
CID 155402885

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
The IUPAC name of [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea (CID 11821083) is [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea.
What is the SMILES notation for [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
The canonical SMILES for [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea is COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(/C(N)=N/NC(N)=O)cc3)c2c1.
What is the InChIKey of [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
The InChIKey is LGYQCOZSESINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-31-15-7-9-18-17(11-15)20(16-8-4-13(23)10-19(16)27-18)26-14-5-2-12(3-6-14)21(24)28-29-22(25)30/h2-11H,1H3,(H2,24,28)(H,26,27)(H3,25,29,30).
What are the key properties of [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea?
[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea has a molecular weight of 434.89 g/mol, XLogP of 4.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea is sourced from PubChem (CID 11821083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).