6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine

C18H14ClN5O — CID 135401991

IUPAC6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N/N=C/c3ncc[nH]3)c2c1
InChIInChI=1S/C18H14ClN5O/c1-25-12-3-5-15-14(9-12)18(24-22-10-17-20-6-7-21-17)13-4-2-11(19)8-16(13)23-15/h2-10H,1H3,(H,20,21)(H,23,24)/b22-10+
InChIKeyYPCCKVMMQYRLBG-LSHDLFTRSA-N
MW351.80 g/mol
LogP4.22
Rot. Bonds4

About 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine

6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine (PubChem CID 135401991) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine
PubChem CID135401991
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N/N=C/c3ncc[nH]3)c2c1
InChIInChI=1S/C18H14ClN5O/c1-25-12-3-5-15-14(9-12)18(24-22-10-17-20-6-7-21-17)13-4-2-11(19)8-16(13)23-15/h2-10H,1H3,(H,20,21)(H,23,24)/b22-10+
InChIKeyYPCCKVMMQYRLBG-LSHDLFTRSA-N
XLogP4.22
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 54.22
H-Bond Donors ≤ 52
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': '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 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine?
The IUPAC name of 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine (CID 135401991) is 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine.
What is the SMILES notation for 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine?
The canonical SMILES for 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(N/N=C/c3ncc[nH]3)c2c1.
What is the InChIKey of 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine?
The InChIKey is YPCCKVMMQYRLBG-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-25-12-3-5-15-14(9-12)18(24-22-10-17-20-6-7-21-17)13-4-2-11(19)8-16(13)23-15/h2-10H,1H3,(H,20,21)(H,23,24)/b22-10+.
What are the key properties of 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine?
6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine has a molecular weight of 351.80 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine is sourced from PubChem (CID 135401991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).