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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Related Compounds

N-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 137133106
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-(2-methoxyethyl)-3H-benzimidazol-5-amine
CID 137133152
N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 71511622
N2-(3-chloro-4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826930
N-[3-chloro-4-(3-methylphenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851592
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117826054
2-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827310
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827358
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-benzimidazole
CID 136211076
2-[5-[(3-chloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-6-piperidin-1-yl-1H-benzimidazole
CID 137133098
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-fluoro-1H-benzimidazole
CID 137133102
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-methyl-3H-benzimidazol-5-amine
CID 137133114

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).