N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine

C25H19N3O — CID 45481473

IUPACN-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
SMILESCOc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)c2ccccc12
InChIInChI=1S/C25H19N3O/c1-29-24-15-14-17(18-8-2-3-9-19(18)24)16-26-28-25-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)25/h2-16H,1H3,(H,27,28)/b26-16+
InChIKeyCQQNMMMRKUUKGI-WGOQTCKBSA-N
MW377.45 g/mol
LogP6.00
Rot. Bonds4

About N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine

N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine (PubChem CID 45481473) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
PubChem CID45481473
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC NameN-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
SMILESCOc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)c2ccccc12
InChIInChI=1S/C25H19N3O/c1-29-24-15-14-17(18-8-2-3-9-19(18)24)16-26-28-25-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)25/h2-16H,1H3,(H,27,28)/b26-16+
InChIKeyCQQNMMMRKUUKGI-WGOQTCKBSA-N
XLogP6.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
CID 44715025
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
2-[2-[(E)-(acridin-9-ylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 44715040
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide
CID 24776772
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 3712194
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697070

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine?
The IUPAC name of N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine (CID 45481473) is N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine.
What is the SMILES notation for N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine?
The canonical SMILES for N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine is COc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)c2ccccc12.
What is the InChIKey of N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine?
The InChIKey is CQQNMMMRKUUKGI-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H19N3O/c1-29-24-15-14-17(18-8-2-3-9-19(18)24)16-26-28-25-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)25/h2-16H,1H3,(H,27,28)/b26-16+.
What are the key properties of N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine?
N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine has a molecular weight of 377.45 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine is sourced from PubChem (CID 45481473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).